3-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propionic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SCCC(=O)O)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SCCC(=O)O)O

InChI

InChI=1S/C11H16N2O4S/c1-2-3-4-7-9(16)12-11(13-10(7)17)18-6-5-8(14)15/h2-6H2,1H3,(H,14,15)(H2,12,13,16,17)