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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-chloro-4-fluorophenyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-chloro-4-fluoro-benzyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C14H12ClFN2O2S MolecularWeight: 326.773683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=C(C=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=C(C=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C14H12ClFN2O2S/c1-7-12(14(19)20)13(18-8(2)17-7)21-6-9-3-4-10(16)5-11(9)15/h3-5H,6H2,1-2H3,(H,19,20)