2-methylsulfanyl-4-[[4-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-[[4-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxylic acid Openeye Name: 2-methylsulfanyl-4-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid CAS Name: 2-(methylthio)-4-[4-(trifluoromethyl)anilino]-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-4-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid Traditional Name: 2-(methylthio)-4-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxylic acid Formula: C13H10F3N3O2S MolecularWeight: 329.29761

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H10F3N3O2S/c1-22-12-17-6-9(11(20)21)10(19-12)18-8-4-2-7(3-5-8)13(14,15)16/h2-6H,1H3,(H,20,21)(H,17,18,19)