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

Systemtic Name: 4-methyl-2-propan-2-yl-6-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-methyl-6-(2,2,2-trifluoroethylthio)pyrimidine-5-carboxylic acid Formula: C11H13F3N2O2S MolecularWeight: 294.29333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13F3N2O2S/c1-5(2)8-15-6(3)7(10(17)18)9(16-8)19-4-11(12,13)14/h5H,4H2,1-3H3,(H,17,18)