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

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

Systemtic Name:2-[(5-hexyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid
Openeye Name:2-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid
CAS Name:2-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetic acid
IUPAC Name:2-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid
Traditional Name:2-[(5-hexyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetic acid
Formula: C12H18N2O4S
MolecularWeight: 286.34732
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=C(NC1=O)SCC(=O)O)O


Isomeric SMILES

CCCCCCC1=C(N=C(NC1=O)SCC(=O)O)O


InChI

InChI=1S/C12H18N2O4S/c1-2-3-4-5-6-8-10(17)13-12(14-11(8)18)19-7-9(15)16/h2-7H2,1H3,(H,15,16)(H2,13,14,17,18)


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