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

Systemtic Name: 3-(3-methoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53

InChI

InChI=1S/C25H26N4O3S/c1-16-10-12-28(13-11-16)21(30)15-33-25-27-22-19-8-3-4-9-20(19)26-23(22)24(31)29(25)17-6-5-7-18(14-17)32-2/h3-9,14,16,26H,10-13,15H2,1-2H3