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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-chloro-4-fluorophenyl)methylthio]-2-cyclohexyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-cyclohexyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-chloro-4-fluoro-benzyl)thio]-2-cyclohexyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C19H20ClFN2O2S MolecularWeight: 394.890703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCCC2)SCC3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCCC2)SCC3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C19H20ClFN2O2S/c1-11-16(19(24)25)18(23-17(22-11)12-5-3-2-4-6-12)26-10-13-7-8-14(21)9-15(13)20/h7-9,12H,2-6,10H2,1H3,(H,24,25)