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Acetic acid, 2-(4,6-dihydroxy-2-pyrimidylthio)-
SpectraBase Compound ID 1yiCyo082Qv
InChI InChI=1S/C6H6N2O4S/c9-3-1-4(10)8-6(7-3)13-2-5(11)12/h1H,2H2,(H,11,12)(H2,7,8,9,10)
InChIKey YTJOPYHZSBFXSN-UHFFFAOYSA-N
Mol Weight 202.18 g/mol
Molecular Formula C6H6N2O4S
Exact Mass 202.004828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuajJRVORei
Name Acetic acid, 2-(4,6-dihydroxy-2-pyrimidylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N2O4S
InChI InChI=1S/C6H6N2O4S/c9-3-1-4(10)8-6(7-3)13-2-5(11)12/h1H,2H2,(H,11,12)(H2,7,8,9,10)
InChIKey YTJOPYHZSBFXSN-UHFFFAOYSA-N
Molecular Weight 202.184 g/mol
SMILES OC(CSc1nc(cc(n1)O)O)=O
SPLASH splash10-00kf-9400000000-d8bb4c28c49df66c2330
Synonyms 2-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]acetic acid 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetic acid 2-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoic acid [(4,6-Dihydroxy-2-pyrimidinyl)sulfanyl]acetic acid
Wiley ID 1457370