methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidene-2-pyridin-4-yl-ethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: methyl 5-cyano-6-oxidanylidene-4-(2-oxidanylidene-2-pyridin-4-yl-ethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Openeye Name: methyl 5-cyano-6-oxo-4-[2-oxo-2-(4-pyridyl)ethyl]-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: 5-cyano-6-oxo-4-(2-oxo-2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-4-(2-oxo-2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-diazinane-4-carboxylate Traditional Name: 5-cyano-6-keto-4-[2-keto-2-(4-pyridyl)ethyl]-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C14H12N4O4S MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC=NC=C2

Isomeric SMILES

COC(=O)C1(C(C(=O)NC(=S)N1)C#N)CC(=O)C2=CC=NC=C2

InChI

InChI=1S/C14H12N4O4S/c1-22-12(21)14(6-10(19)8-2-4-16-5-3-8)9(7-15)11(20)17-13(23)18-14/h2-5,9H,6H2,1H3,(H2,17,18,20,23)