ethyl 2-(4-cyano-5-methyl-1-oxidanylidene-pyrimido[1,6-a]benzimidazol-3-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-cyano-5-methyl-1-oxidanylidene-pyrimido[1,6-a]benzimidazol-3-yl)sulfanylethanoate Openeye Name: ethyl 2-(4-cyano-5-methyl-1-oxo-pyrimido[1,6-a]benzimidazol-3-yl)sulfanylacetate CAS Name: 2-[(4-cyano-5-methyl-1-oxo-3-pyrimido[1,6-a]benzimidazolyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-cyano-5-methyl-1-oxopyrimido[1,6-a]benzimidazol-3-yl)sulfanylacetate Traditional Name: 2-[(4-cyano-1-keto-5-methyl-pyrimido[1,6-a]benzimidazol-3-yl)thio]acetic acid ethyl ester Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)N2C3=CC=CC=C3N(C2=C1C#N)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)N2C3=CC=CC=C3N(C2=C1C#N)C

InChI

InChI=1S/C16H14N4O3S/c1-3-23-13(21)9-24-14-10(8-17)15-19(2)11-6-4-5-7-12(11)20(15)16(22)18-14/h4-7H,3,9H2,1-2H3