ethyl 4-(cyanomethylsulfanyl)-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(cyanomethylsulfanyl)-2-(furan-2-yl)-6-methyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(cyanomethylsulfanyl)-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-(cyanomethylthio)-2-(2-furanyl)-6-methyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyanomethylsulfanyl)-2-(furan-2-yl)-6-methylpyrimidine-5-carboxylate Traditional Name: 4-(cyanomethylthio)-2-(2-furyl)-6-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC#N)C2=CC=CO2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC#N)C2=CC=CO2)C

InChI

InChI=1S/C14H13N3O3S/c1-3-19-14(18)11-9(2)16-12(10-5-4-7-20-10)17-13(11)21-8-6-15/h4-5,7H,3,8H2,1-2H3