2-methyl-5-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid

Systemtic Name: 2-methyl-5-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid Openeye Name: 5-(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-2-methyl-pentanoic acid CAS Name: 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-methylpentanoic acid IUPAC Name: 5-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-methylpentanoic acid Traditional Name: 5-(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)-2-methyl-valeric acid Formula: C10H14N2O4S MolecularWeight: 258.29416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=C(NC(=S)NC1=O)O)C(=O)O

Isomeric SMILES

CC(CCCC1=C(NC(=S)NC1=O)O)C(=O)O

InChI

InChI=1S/C10H14N2O4S/c1-5(9(15)16)3-2-4-6-7(13)11-10(17)12-8(6)14/h5H,2-4H2,1H3,(H,15,16)(H3,11,12,13,14,17)