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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-p-phenetyl-5H-pyrimid[5,4-b]indol-4-one Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCCC5

InChI

InChI=1S/C26H28N4O3S/c1-2-33-19-13-11-18(12-14-19)30-25(32)24-23(20-9-5-6-10-21(20)27-24)28-26(30)34-17-22(31)29-15-7-3-4-8-16-29/h5-6,9-14,27H,2-4,7-8,15-17H2,1H3