2-[3-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propyl]heptanoic acid

Systemtic Name: 2-[3-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propyl]heptanoic acid Openeye Name: 2-[3-(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propyl]heptanoic acid CAS Name: 2-[3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propyl]heptanoic acid IUPAC Name: 2-[3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propyl]heptanoic acid Traditional Name: 2-[3-(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)propyl]enanthic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O4S/c1-2-3-4-6-9(13(19)20)7-5-8-10-11(17)15-14(21)16-12(10)18/h9H,2-8H2,1H3,(H,19,20)(H3,15,16,17,18,21)