4-(cyanomethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(cyanomethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(cyanomethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-(cyanomethylthio)-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(cyanomethylsulfanyl)-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-(cyanomethylthio)-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C9H9N3O2S MolecularWeight: 223.25166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC#N)C(=O)O

InChI

InChI=1S/C9H9N3O2S/c1-5-7(9(13)14)8(15-4-3-10)12-6(2)11-5/h4H2,1-2H3,(H,13,14)