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

Systemtic Name: 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 3-(3-chlorophenyl)-2-(phenacylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 3-(3-chlorophenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-(phenacylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C25H20ClN3O2S MolecularWeight: 461.9632

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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)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN3O2S/c26-18-10-6-11-19(14-18)29-24(31)20-13-17-9-4-5-12-21(17)27-23(20)28-25(29)32-15-22(30)16-7-2-1-3-8-16/h1-3,6-8,10-11,13-14H,4-5,9,12,15H2