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

Systemtic Name: 2-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetic acid IUPAC Name: 2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetic acid Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O4S/c1-2-3-4-6-8(15)11-10(12-9(6)16)17-5-7(13)14/h2-5H2,1H3,(H,13,14)(H2,11,12,15,16)