Mrv1533004151518222D 27 32 0 0 0 0 999 V2000 7.6177 -1.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8107 -1.8326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5558 -2.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2587 -1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4382 -1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 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 3.5724 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 N 0 0 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 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 7 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 4 25 1 0 0 0 0 25 26 1 0 0 0 0 6 26 1 0 0 0 0 26 27 2 0 0 0 0 14 27 1 0 0 0 0 18 27 1 0 0 0 0 M END > NP0081256 > NP-MRD > CN(C)C1=CC2=C3SCC(=O)NC3=C3N=CC=C4C5=CC=CC=C5N1C2=C34 > InChI=1S/C21H16N4OS/c1-24(2)16-9-13-20-17-12(11-5-3-4-6-14(11)25(16)20)7-8-22-18(17)19-21(13)27-10-15(26)23-19/h3-9H,10H2,1-2H3,(H,23,26) > GPZYPHQBECMNGO-UHFFFAOYSA-N > C21H16N4OS > 372.45 > 372.104482325 > 3 > 43 > 40.408763328803886 > 1 > 1 > 0 > 1 > 21-(dimethylamino)-17-thia-1,11,14-triazahexacyclo[10.9.2.0²,⁷.0⁸,²³.0¹³,¹⁸.0¹⁹,²²]tricosa-2,4,6,8,10,12,18,20,22-nonaen-15-one > 3.38 > 2.571277986 > -5.28 > 0 > 6 > 0 > 11.326782695368673 > 4.059090388711161 > 49.64 > 111.04620000000001 > 1 > 1 > 1.97e-03 g/l > 21-(dimethylamino)-17-thia-1,11,14-triazahexacyclo[10.9.2.0²,⁷.0⁸,²³.0¹³,¹⁸.0¹⁹,²²]tricosa-2,4,6,8,10,12,18,20,22-nonaen-15-one > 0 > NP0081256 > Cycloshermilamine D $$$$