ethyl 6-[(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC(=C(C=C2C#N)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC(=C(C=C2C#N)C(=O)C)C

InChI

InChI=1S/C17H18N4O4S/c1-4-25-16(23)13-7-19-17(24)21-14(13)8-26-15-11(6-18)5-12(10(3)22)9(2)20-15/h5H,4,7-8H2,1-3H3,(H2,19,21,24)