4-(2-imidazol-1-ylethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-imidazol-1-ylethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-imidazol-1-ylethylsulfanyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[2-(1-imidazolyl)ethylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-imidazol-1-ylethylsulfanyl)-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-imidazol-1-ylethylthio)-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCCN2C=CN=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCCN2C=CN=C2)C(=O)O

InChI

InChI=1S/C12H14N4O2S/c1-8-10(12(17)18)11(15-9(2)14-8)19-6-5-16-4-3-13-7-16/h3-4,7H,5-6H2,1-2H3,(H,17,18)