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

Systemtic Name: 3-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-methyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2S/c1-28-24(31)23-22(19-9-5-6-10-20(19)26-23)27-25(28)32-16-21(30)29-13-11-18(12-14-29)15-17-7-3-2-4-8-17/h2-10,18,26H,11-16H2,1H3