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

Systemtic Name: 3-(2-methylphenyl)-2-(pyridin-3-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(o-tolyl)-2-(3-pyridylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methylphenyl)-2-(3-pyridinylmethylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methylphenyl)-2-(pyridin-3-ylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(o-tolyl)-2-(3-pyridylmethylthio)-5H-pyrimid[5,4-b]indol-4-one Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CN=CC=C5

InChI

InChI=1S/C23H18N4OS/c1-15-7-2-5-11-19(15)27-22(28)21-20(17-9-3-4-10-18(17)25-21)26-23(27)29-14-16-8-6-12-24-13-16/h2-13,25H,14H2,1H3