NP-MRD: Showing NP-Card for (2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid (NP0172388)

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Record Information

Version

2.0

Created at

2022-09-03 09:17:16 UTC

Updated at

2022-09-03 09:17:16 UTC

NP-MRD ID

NP0172388

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid

Description

61786-77-4, Also known as sparoxomycin A2, belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Based on a literature review very few articles have been published on 61786-77-4.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 43  0  0  0  0  0  0  0  0999 V2000
    4.0835   -2.0343    1.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3247   -1.3343    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5134   -1.5882   -0.5951 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8258   -1.0303   -1.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0202   -1.2674   -2.4188 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9470   -0.2011   -2.3402 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742    0.0647   -1.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    0.9297   -2.4039 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3975   -0.4973   -0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1217   -0.1525    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5194   -0.3912    1.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1444    0.1058    1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3939   -0.2112    2.6387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4948    0.7913    0.5302 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8137    1.3130    0.6969 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8645    2.2536    1.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9850    3.3177    1.7352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8521    0.2605    0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9684   -0.9447   -0.3389 S   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5566   -1.8483   -0.4603 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.3934   -0.2152   -1.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8742    0.7377   -1.8119 S   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2263   -0.3184   -1.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7062    1.9615   -0.6943 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.9355   -2.7843    1.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1703   -1.4042    2.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2009   -2.6889    1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9879   -1.4892   -3.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7279    1.8176   -1.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4695    0.4464   -0.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0316   -0.9378    1.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2161   -0.3682    3.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205    1.9557   -0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8852    2.6904    1.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7210    1.6983    2.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4380    3.2282    0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8353    0.7265    1.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6008   -0.2627    1.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6150   -1.0811   -2.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5655    0.3401   -2.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3941   -1.0892   -2.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1646    0.2533   -1.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9627   -0.7516   -0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
 23 22  1  0
 22 24  1  1
 22 21  1  0
 21 19  1  0
 19 20  1  6
 19 18  1  0
 18 15  1  0
 15 16  1  0
 16 17  1  0
 15 14  1  0
 14 12  2  0
 12 13  1  0
 12 11  1  0
 11 10  2  0
 10  9  1  0
  9  7  2  0
  7  8  1  0
  7  6  1  0
  6  4  2  0
  4  5  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2  9  1  0
 23 41  1  0
 23 42  1  0
 23 43  1  0
 21 39  1  0
 21 40  1  0
 18 37  1  0
 18 38  1  0
 15 33  1  6
 16 34  1  0
 16 35  1  0
 17 36  1  0
 13 32  1  0
 11 31  1  0
 10 30  1  0
  8 29  1  0
  5 28  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
M  CHG  4  19   1  20  -1  22   1  24  -1
M  END


  Mrv1652309032211172D          

 24 24  0  0  0  0            999 V2000
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  4  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  4  19   1  20  -1  22   1  24  -1
M  END
> <DATABASE_ID>
NP0172388

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[S+]([O-])C[S+]([O-])CC(CO)N=C(O)\C=C\C1=C(O)N=C(O)N=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C13H19N3O6S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-24(22)7-23(2)21/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+

> <INCHI_KEY>
ZIMCIWWBWLSQCN-ONEGZZNKSA-N

> <FORMULA>
C13H19N3O6S2

> <MOLECULAR_WEIGHT>
377.43

> <EXACT_MASS>
377.071527692

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
36.62193325659974

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-N-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid

> <ALOGPS_LOGP>
0.24

> <JCHEM_LOGP>
-1.8250824620000001

> <ALOGPS_LOGS>
-2.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.203214572456424

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.153664150445749

> <JCHEM_PKA_STRONGEST_BASIC>
2.6930446410567632

> <JCHEM_POLAR_SURFACE_AREA>
153.20000000000002

> <JCHEM_REFRACTIVITY>
94.331

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.11e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-N-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0       1.334   2.310   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0       5.335  -4.620   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   19  S   UNK     0       9.336  -5.390   0.000  0.00  0.00           S+1
HETATM   20  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O-1
HETATM   21  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   22  S   UNK     0      12.003  -5.390   0.000  0.00  0.00           S+1
HETATM   23  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      12.003  -6.930   0.000  0.00  0.00           O-1
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7    2   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Value	Source
Sparoxomycin a2	MeSH
Sparoxomycin a1	MeSH

Chemical Formula

C₁₃H₁₉N₃O₆S₂

Average Mass

377.4300 Da

Monoisotopic Mass

377.07153 Da

IUPAC Name

(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-N-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid

Traditional Name

(2E)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-N-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid

CAS Registry Number

Not Available

SMILES

C[S+]([O-])C[S+]([O-])CC(CO)N=C(O)\C=C\C1=C(O)N=C(O)N=C1C

InChI Identifier

InChI=1S/C13H19N3O6S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-24(22)7-23(2)21/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+

InChI Key

ZIMCIWWBWLSQCN-ONEGZZNKSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazines

Sub Class

Pyrimidines and pyrimidine derivatives

Direct Parent

Pyrimidones

Alternative Parents

Substituents

Pyrimidone
Hydropyrimidine
Vinylogous amide
Heteroaromatic compound
Carboxamide group
Lactam
Secondary carboxylic acid amide
Sulfoxide
Urea
Carboxylic acid derivative
Sulfinyl compound
Azacycle
Alcohol
Carbonyl group
Organic oxygen compound
Primary alcohol
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0.24	ALOGPS
logP	-1.8	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	5.15	ChemAxon
pKa (Strongest Basic)	2.69	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	153.2 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	94.33 m³·mol⁻¹	ChemAxon
Polarizability	36.62 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4796346

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6066399

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid (NP0172388)

MOL for NP0172388 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid)

3D MOL for NP0172388 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid)

3D SDF for NP0172388 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid)

3D-SDF for NP0172388 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid)

PDB for NP0172388 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid)

3D PDB for NP0172388 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid)

SMILES for NP0172388 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid)

INCHI for NP0172388 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid)

Structure for NP0172388 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid)

3D Structure for NP0172388 ((2e)-3-(2,4-dihydroxy-6-methylpyrimidin-5-yl)-n-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)prop-2-enimidic acid)