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

Systemtic Name: 3-ethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-ethyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-ethyl-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-ethyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-ethyl-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCC(CC4)C

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCC(CC4)C

InChI

InChI=1S/C20H24N4O2S/c1-3-24-19(26)18-17(14-6-4-5-7-15(14)21-18)22-20(24)27-12-16(25)23-10-8-13(2)9-11-23/h4-7,13,21H,3,8-12H2,1-2H3