4-butylsulfanyl-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-butylsulfanyl-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-butylsulfanyl-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(butylthio)-2-(4-fluorophenyl)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-butylsulfanyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(butylthio)-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H17FN2O2S MolecularWeight: 320.381783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C(=O)O)C)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C(=O)O)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H17FN2O2S/c1-3-4-9-22-15-13(16(20)21)10(2)18-14(19-15)11-5-7-12(17)8-6-11/h5-8H,3-4,9H2,1-2H3,(H,20,21)