4-[bis(fluoranyl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(difluoromethylsulfanyl)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(difluoromethylthio)-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(difluoromethylsulfanyl)-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(difluoromethylthio)-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C9H10F2N2O2S MolecularWeight: 248.249706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SC(F)F)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC(F)F)C(=O)O)C

InChI

InChI=1S/C9H10F2N2O2S/c1-3-5-12-4(2)6(8(14)15)7(13-5)16-9(10)11/h9H,3H2,1-2H3,(H,14,15)