2-(3-methylbutylsulfanyl)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-isopentylsulfanyl-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(3-methylbutylthio)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(isoamylthio)-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCCC(C)C

InChI

InChI=1S/C22H23N3OS/c1-14(2)12-13-27-22-24-19-16-9-5-6-10-17(16)23-20(19)21(26)25(22)18-11-7-4-8-15(18)3/h4-11,14,23H,12-13H2,1-3H3