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

Systemtic Name: 2-butylsulfanyl-3-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 2-butylsulfanyl-3-(o-tolyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 2-(butylthio)-3-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 2-butylsulfanyl-3-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 2-(butylthio)-3-(o-tolyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1C4=CC=CC=C4C

Isomeric SMILES

CCCCSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1C4=CC=CC=C4C

InChI

InChI=1S/C22H25N3OS/c1-3-4-13-27-22-24-20-17(14-16-10-6-7-11-18(16)23-20)21(26)25(22)19-12-8-5-9-15(19)2/h5,8-9,12,14H,3-4,6-7,10-11,13H2,1-2H3