5-(4-chlorophenyl)-8,8-dimethyl-2-methylsulfanyl-5,5a,7,9,9a,10-hexahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-(4-chlorophenyl)-8,8-dimethyl-2-methylsulfanyl-5,5a,7,9,9a,10-hexahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-(4-chlorophenyl)-8,8-dimethyl-2-methylsulfanyl-5,5a,7,9,9a,10-hexahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-(4-chlorophenyl)-8,8-dimethyl-2-(methylthio)-5,5a,7,9,9a,10-hexahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-(4-chlorophenyl)-8,8-dimethyl-2-methylsulfanyl-5,5a,7,9,9a,10-hexahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-(4-chlorophenyl)-8,8-dimethyl-2-(methylthio)-5,5a,7,9,9a,10-hexahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C(C(C3=C(N2)NC(=NC3=O)SC)C4=CC=C(C=C4)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2C(C(C3=C(N2)NC(=NC3=O)SC)C4=CC=C(C=C4)Cl)C(=O)C1)C

InChI

InChI=1S/C20H22ClN3O2S/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(21)7-5-10)16-17(22-12)23-19(27-3)24-18(16)26/h4-7,12,14-15H,8-9H2,1-3H3,(H2,22,23,24,26)