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

Systemtic Name: 3-(2-methylphenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 3-(o-tolyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 3-(2-methylphenyl)-2-(phenacylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 3-(2-methylphenyl)-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 3-(o-tolyl)-2-(phenacylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC4=C(CCCC4)N=C3N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC4=C(CCCC4)N=C3N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O2S/c1-17-9-5-8-14-22(17)29-25(31)20-15-19-12-6-7-13-21(19)27-24(20)28-26(29)32-16-23(30)18-10-3-2-4-11-18/h2-5,8-11,14-15H,6-7,12-13,16H2,1H3