2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylidene-pentanoic acid

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylidene-pentanoic acid Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylene-pentanoic acid CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methylenepentanoic acid IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylidenepentanoic acid Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-ethyl-but-3-enoic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(C(=O)O)SC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CCC(=C)C(C(=O)O)SC1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C12H16N2O4S/c1-5-7(2)10(11(15)16)19-12-13-8(17-3)6-9(14-12)18-4/h6,10H,2,5H2,1,3-4H3,(H,15,16)