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

Systemtic Name: 3-(2-methylphenyl)-2-propylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 3-(o-tolyl)-2-propylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 3-(2-methylphenyl)-2-(propylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 3-(2-methylphenyl)-2-propylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 3-(o-tolyl)-2-(propylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1C4=CC=CC=C4C

Isomeric SMILES

CCCSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1C4=CC=CC=C4C

InChI

InChI=1S/C21H23N3OS/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/h4,7-8,11,13H,3,5-6,9-10,12H2,1-2H3