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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-ethyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-ethyl-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)N4CCCCCC4

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCCC4

InChI

InChI=1S/C20H24N4O2S/c1-2-24-19(26)18-17(14-9-5-6-10-15(14)21-18)22-20(24)27-13-16(25)23-11-7-3-4-8-12-23/h5-6,9-10,21H,2-4,7-8,11-13H2,1H3