3-[5-(azepan-1-yl)-5-oxidanylidene-pentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[5-(azepan-1-yl)-5-oxidanylidene-pentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Openeye Name: 3-[5-(azepan-1-yl)-5-oxo-pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-4-one CAS Name: 3-[5-(1-azepanyl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one IUPAC Name: 3-[5-(azepan-1-yl)-5-oxopentyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one Traditional Name: 3-[5-(azepan-1-yl)-5-keto-pentyl]-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-4-one Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)N4CCCCCC4

InChI

InChI=1S/C22H28N4O3S/c1-29-15-9-10-17-16(14-15)19-20(23-17)21(28)26(22(30)24-19)13-7-4-8-18(27)25-11-5-2-3-6-12-25/h9-10,14,23H,2-8,11-13H2,1H3,(H,24,30)