3-(3-chlorophenyl)-2-(phenylmethylsulfanyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one

Systemtic Name: 3-(3-chlorophenyl)-2-(phenylmethylsulfanyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3-chlorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 3-(3-chlorophenyl)-2-(phenylmethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 2-benzylsulfanyl-3-(3-chlorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 2-(benzylthio)-3-(3-chlorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C24H20ClN3OS MolecularWeight: 433.9531

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C3C(=N2)N=C(N(C3=O)C4=CC(=CC=C4)Cl)SCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=C3C(=N2)N=C(N(C3=O)C4=CC(=CC=C4)Cl)SCC5=CC=CC=C5

InChI

InChI=1S/C24H20ClN3OS/c25-18-10-6-11-19(14-18)28-23(29)20-13-17-9-4-5-12-21(17)26-22(20)27-24(28)30-15-16-7-2-1-3-8-16/h1-3,6-8,10-11,13-14H,4-5,9,12,15H2