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

Systemtic Name: 4-ethylsulfanyl-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-ethylsulfanyl-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(ethylthio)-2-(4-fluorophenyl)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-ethylsulfanyl-2-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(ethylthio)-2-(4-fluorophenyl)-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H13FN2O2S MolecularWeight: 292.328623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC(=C1C(=O)O)C)C2=CC=C(C=C2)F

Isomeric SMILES

CCSC1=NC(=NC(=C1C(=O)O)C)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H13FN2O2S/c1-3-20-13-11(14(18)19)8(2)16-12(17-13)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3,(H,18,19)