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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-chloro-4-fluorophenyl)methylthio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-chloro-4-fluoro-benzyl)thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H14ClFN2O2S MolecularWeight: 352.810963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C16H14ClFN2O2S/c1-8-13(16(21)22)15(20-14(19-8)9-2-3-9)23-7-10-4-5-11(18)6-12(10)17/h4-6,9H,2-3,7H2,1H3,(H,21,22)