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Acetic acid, [(4-amino-2-pyrimidinyl)thio]-
SpectraBase Compound ID CdaS7Cw1Vgc
InChI InChI=1S/C6H7N3O2S/c7-4-1-2-8-6(9-4)12-3-5(10)11/h1-2H,3H2,(H,10,11)(H2,7,8,9)
InChIKey JFBBHFVRALBIAT-UHFFFAOYSA-N
Mol Weight 185.2 g/mol
Molecular Formula C6H7N3O2S
Exact Mass 185.025898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BukUIqWg77d
Name Acetic acid, [(4-amino-2-pyrimidinyl)thio]-
CAS Registry Number 61445-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3O2S
InChI InChI=1S/C6H7N3O2S/c7-4-1-2-8-6(9-4)12-3-5(10)11/h1-2H,3H2,(H,10,11)(H2,7,8,9)
InChIKey JFBBHFVRALBIAT-UHFFFAOYSA-N
Molecular Weight 185.201 g/mol
SMILES Nc1nc(SCC(=O)O)ncc1
SPLASH splash10-0006-9500000000-dd3835e7e69739892c0a
Source of Spectrum K-109-3624-0
Synonyms 2-(4-aminopyrimidin-2-yl)sulfanylacetic acid 2-(4-azanylpyrimidin-2-yl)sulfanylethanoic acid 2-[(4-amino-2-pyrimidinyl)thio]acetic acid 2-[(4-aminopyrimidin-2-yl)thio]acetic acid
Wiley ID 1181665