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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-2-11-25-20(27)19-18(15-9-5-6-10-16(15)22-19)23-21(25)28-14-17(26)24-12-7-3-4-8-13-24/h2,5-6,9-10,22H,1,3-4,7-8,11-14H2