N-(3-ethoxypropyl)-2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)ethanamide

Systemtic Name: N-(3-ethoxypropyl)-2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)ethanamide Openeye Name: N-(3-ethoxypropyl)-2-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)acetamide CAS Name: N-(3-ethoxypropyl)-2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)acetamide IUPAC Name: N-(3-ethoxypropyl)-2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)acetamide Traditional Name: N-(3-ethoxypropyl)-2-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)acetamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)CN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

Isomeric SMILES

CCOCCCNC(=O)CN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

InChI

InChI=1S/C18H22N4O4S/c1-3-26-8-4-7-19-14(23)10-22-17(24)16-15(21-18(22)27)12-9-11(25-2)5-6-13(12)20-16/h5-6,9,20H,3-4,7-8,10H2,1-2H3,(H,19,23)(H,21,27)