2,4-dimethyl-6-[(1-methylpyrazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-[(1-methylpyrazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-[(1-methylpyrazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[(1-methyl-4-pyrazolyl)methylthio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[(1-methylpyrazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-[(1-methylpyrazol-4-yl)methylthio]pyrimidine-5-carboxylic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CN(N=C2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CN(N=C2)C)C(=O)O

InChI

InChI=1S/C12H14N4O2S/c1-7-10(12(17)18)11(15-8(2)14-7)19-6-9-4-13-16(3)5-9/h4-5H,6H2,1-3H3,(H,17,18)