3-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: 3-[(4-oxidanyl-6-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)thio]propanoate IUPAC Name: 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(4-hydroxy-6-keto-5-propyl-1H-pyrimidin-2-yl)thio]propionate Formula: C10H13N2O4S- MolecularWeight: 257.28622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(NC1=O)SCCC(=O)[O-])O

Isomeric SMILES

CCCC1=C(N=C(NC1=O)SCCC(=O)[O-])O

InChI

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