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

Systemtic Name: 3-phenyl-2-(phenylmethylsulfanyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 2-benzylsulfanyl-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 3-phenyl-2-(phenylmethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 2-benzylsulfanyl-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 2-(benzylthio)-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C24H21N3OS MolecularWeight: 399.50804

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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)SCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3OS/c28-23-20-15-18-11-7-8-14-21(18)25-22(20)26-24(27(23)19-12-5-2-6-13-19)29-16-17-9-3-1-4-10-17/h1-6,9-10,12-13,15H,7-8,11,14,16H2