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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCCC4

InChI

InChI=1S/C19H22N4O2S/c1-22-18(25)17-16(13-8-4-5-9-14(13)20-17)21-19(22)26-12-15(24)23-10-6-2-3-7-11-23/h4-5,8-9,20H,2-3,6-7,10-12H2,1H3