2-ethyl-4-methyl-6-(2-oxidanylideneoxolan-3-yl)sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-ethyl-4-methyl-6-(2-oxidanylideneoxolan-3-yl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-(2-oxotetrahydrofuran-3-yl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[(2-oxo-3-oxolanyl)thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-(2-oxooxolan-3-yl)sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[(2-ketotetrahydrofuran-3-yl)thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SC2CCOC2=O)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SC2CCOC2=O)C(=O)O)C

InChI

InChI=1S/C12H14N2O4S/c1-3-8-13-6(2)9(11(15)16)10(14-8)19-7-4-5-18-12(7)17/h7H,3-5H2,1-2H3,(H,15,16)