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Acetic acid, [(4-amino-2-pyrimidinyl)thio]-, ethyl ester
SpectraBase Compound ID 8esDXJK08U8
InChI InChI=1S/C8H11N3O2S/c1-2-13-7(12)5-14-8-10-4-3-6(9)11-8/h3-4H,2,5H2,1H3,(H2,9,10,11)
InChIKey MEZJTJCXPNBTED-UHFFFAOYSA-N
Mol Weight 213.25 g/mol
Molecular Formula C8H11N3O2S
Exact Mass 213.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Id8rau57Viy
Name Acetic acid, [(4-amino-2-pyrimidinyl)thio]-, ethyl ester
CAS Registry Number 61445-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11N3O2S
InChI InChI=1S/C8H11N3O2S/c1-2-13-7(12)5-14-8-10-4-3-6(9)11-8/h3-4H,2,5H2,1H3,(H2,9,10,11)
InChIKey MEZJTJCXPNBTED-UHFFFAOYSA-N
Molecular Weight 213.255 g/mol
SMILES Nc1nc(ncc1)SCC(=O)OCC
SPLASH splash10-000l-6920000000-b82ee2cdf5401be422af
Source of Spectrum K-109-3624-0
Synonyms 2-[(4-amino-2-pyrimidinyl)thio]acetic acid ethyl ester Ethyl 2-(4-aminopyrimidin-2-yl)sulfanylacetate Ethyl 2-(4-azanylpyrimidin-2-yl)sulfanylethanoate
Wiley ID 1212343