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

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

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCCC5

InChI

InChI=1S/C25H26N4O3S/c1-32-18-10-8-9-17(15-18)29-24(31)23-22(19-11-4-5-12-20(19)26-23)27-25(29)33-16-21(30)28-13-6-2-3-7-14-28/h4-5,8-12,15,26H,2-3,6-7,13-14,16H2,1H3