4-(2-hydroxyethylsulfanyl)-6-methyl-2-thiophen-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-hydroxyethylsulfanyl)-6-methyl-2-thiophen-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-hydroxyethylsulfanyl)-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylic acid CAS Name: 4-(2-hydroxyethylthio)-6-methyl-2-thiophen-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-hydroxyethylsulfanyl)-6-methyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-hydroxyethylthio)-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylic acid Formula: C12H12N2O3S2 MolecularWeight: 296.36528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SCCO)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SCCO)C(=O)O

InChI

InChI=1S/C12H12N2O3S2/c1-7-9(12(16)17)11(19-6-4-15)14-10(13-7)8-3-2-5-18-8/h2-3,5,15H,4,6H2,1H3,(H,16,17)