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

Systemtic Name: 2-cyclopentylsulfanyl-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-cyclopentylsulfanyl-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-(cyclopentylthio)-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-cyclopentylsulfanyl-3-(2-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(cyclopentylthio)-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC5CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SC5CCCC5

InChI

InChI=1S/C22H21N3OS/c1-14-8-2-7-13-18(14)25-21(26)20-19(16-11-5-6-12-17(16)23-20)24-22(25)27-15-9-3-4-10-15/h2,5-8,11-13,15,23H,3-4,9-10H2,1H3