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

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

Systemtic Name:2-[(5-hexyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate
Openeye Name:2-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
CAS Name:2-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetate
IUPAC Name:2-[(5-hexyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
Traditional Name:2-[(5-hexyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetate
Formula: C12H17N2O4S-
MolecularWeight: 285.33938
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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)/p-1


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