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

Systemtic Name: 3-(3-chlorophenyl)-2-phenethylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-phenethylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 3-(3-chlorophenyl)-2-phenethylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-(phenethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C25H22ClN3OS MolecularWeight: 447.97968

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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)SCCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=C3C(=N2)N=C(N(C3=O)C4=CC(=CC=C4)Cl)SCCC5=CC=CC=C5

InChI

InChI=1S/C25H22ClN3OS/c26-19-10-6-11-20(16-19)29-24(30)21-15-18-9-4-5-12-22(18)27-23(21)28-25(29)31-14-13-17-7-2-1-3-8-17/h1-3,6-8,10-11,15-16H,4-5,9,12-14H2