6-methyl-2-(phenylmethylsulfanyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-3,5-dicarboxylic acid

Systemtic Name: 6-methyl-2-(phenylmethylsulfanyl)-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 2-benzylsulfanyl-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-2-(phenylmethylthio)-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 2-benzylsulfanyl-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 2-(benzylthio)-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyrimidine-3,5-dicarboxylic acid Formula: C21H17F3N2O4S MolecularWeight: 450.43089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)SCC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H17F3N2O4S/c1-12-16(18(27)28)17(14-9-5-6-10-15(14)21(22,23)24)26(20(29)30)19(25-12)31-11-13-7-3-2-4-8-13/h2-10,17H,11H2,1H3,(H,27,28)(H,29,30)