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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-chloro-4-fluorophenyl)methylthio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-chloro-4-fluoro-benzyl)thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H16ClFN2O2S MolecularWeight: 354.826843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClFN2O2S/c1-8(2)14-19-9(3)13(16(21)22)15(20-14)23-7-10-4-5-11(18)6-12(10)17/h4-6,8H,7H2,1-3H3,(H,21,22)