ethyl 4-(cyanomethylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(cyanomethylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(cyanomethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(cyanomethylthio)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyanomethylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-(cyanomethylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC#N)C

InChI

InChI=1S/C10H11N3O3S/c1-3-16-9(14)7-6(2)12-10(15)13-8(7)17-5-4-11/h3,5H2,1-2H3,(H,12,13,15)