4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-chloro-4-fluorophenyl)methylthio]-2-(4-fluorophenyl)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-chloro-4-fluoro-benzyl)thio]-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid Formula: C19H13ClF2N2O2S MolecularWeight: 406.833526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)F)SCC3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)F)SCC3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C19H13ClF2N2O2S/c1-10-16(19(25)26)18(27-9-12-4-7-14(22)8-15(12)20)24-17(23-10)11-2-5-13(21)6-3-11/h2-8H,9H2,1H3,(H,25,26)