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

Systemtic Name: 2-hexylsulfanyl-3-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 2-hexylsulfanyl-3-(o-tolyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 2-(hexylthio)-3-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 2-hexylsulfanyl-3-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 2-(hexylthio)-3-(o-tolyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1C4=CC=CC=C4C

Isomeric SMILES

CCCCCCSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1C4=CC=CC=C4C

InChI

InChI=1S/C24H29N3OS/c1-3-4-5-10-15-29-24-26-22-19(16-18-12-7-8-13-20(18)25-22)23(28)27(24)21-14-9-6-11-17(21)2/h6,9,11,14,16H,3-5,7-8,10,12-13,15H2,1-2H3