3-(2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(o-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methylphenyl)-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-3-(o-tolyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4C)NC5=CC=CC=C53

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4C)NC5=CC=CC=C53

InChI

InChI=1S/C25H26N4O2S/c1-16-11-13-28(14-12-16)21(30)15-32-25-27-22-18-8-4-5-9-19(18)26-23(22)24(31)29(25)20-10-6-3-7-17(20)2/h3-10,16,26H,11-15H2,1-2H3