2,4-dimethyl-6-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-(2,2,2-trifluoroethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-(2,2,2-trifluoroethylthio)pyrimidine-5-carboxylic acid Formula: C9H9F3N2O2S MolecularWeight: 266.24017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(F)(F)F)C(=O)O

InChI

InChI=1S/C9H9F3N2O2S/c1-4-6(8(15)16)7(14-5(2)13-4)17-3-9(10,11)12/h3H2,1-2H3,(H,15,16)