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

Systemtic Name: 3-(2-methylphenyl)-2-prop-2-enylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 2-allylsulfanyl-3-(o-tolyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 3-(2-methylphenyl)-2-(prop-2-enylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 3-(2-methylphenyl)-2-prop-2-enylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 2-(allylthio)-3-(o-tolyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-3-12-26-21-23-19-16(13-15-9-5-6-10-17(15)22-19)20(25)24(21)18-11-7-4-8-14(18)2/h3-4,7-8,11,13H,1,5-6,9-10,12H2,2H3