4-(2-methoxyphenyl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-methoxyphenyl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-methoxyphenyl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-methoxyphenyl)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-methoxyphenyl)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)SC

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)SC

InChI

InChI=1S/C13H12N2O3S/c1-18-10-6-4-3-5-8(10)11-9(12(16)17)7-14-13(15-11)19-2/h3-7H,1-2H3,(H,16,17)