5-(2-nitrophenyl)-2-(phenylmethylsulfanyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(2-nitrophenyl)-2-(phenylmethylsulfanyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-benzylsulfanyl-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(2-nitrophenyl)-2-(phenylmethylthio)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 2-benzylsulfanyl-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-(benzylthio)-5-(2-nitrophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CC=CC=C5[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CC=CC=C5[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C24H20N4O4S/c29-18-12-6-10-16-20(18)19(15-9-4-5-11-17(15)28(31)32)21-22(25-16)26-24(27-23(21)30)33-13-14-7-2-1-3-8-14/h1-5,7-9,11,19H,6,10,12-13H2,(H2,25,26,27,30)