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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-chloro-4-fluorophenyl)methylthio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-chloro-4-fluoro-benzyl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C15H14ClFN2O2S MolecularWeight: 340.800263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=C(C=C(C=C2)F)Cl)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=C(C=C(C=C2)F)Cl)C(=O)O)C

InChI

InChI=1S/C15H14ClFN2O2S/c1-3-12-18-8(2)13(15(20)21)14(19-12)22-7-9-4-5-10(17)6-11(9)16/h4-6H,3,7H2,1-2H3,(H,20,21)