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

Systemtic Name: 4-(2-methoxyethyl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-methoxyethyl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-methoxyethyl)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-methoxyethyl)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-methoxyethyl)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC1=NC(=NC=C1C(=O)O)SC

Isomeric SMILES

COCCC1=NC(=NC=C1C(=O)O)SC

InChI

InChI=1S/C9H12N2O3S/c1-14-4-3-7-6(8(12)13)5-10-9(11-7)15-2/h5H,3-4H2,1-2H3,(H,12,13)