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Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester
SpectraBase Compound ID 2gB4Nq2w9IZ
InChI InChI=1S/C9H12ClN3O2S/c1-3-15-6(14)4-16-8-7(10)5(2)12-9(11)13-8/h3-4H2,1-2H3,(H2,11,12,13)
InChIKey ZMZXXPDLOGZBHO-UHFFFAOYSA-N
Mol Weight 261.73 g/mol
Molecular Formula C9H12ClN3O2S
Exact Mass 261.033876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITkYJq145p0
Name Acetic acid, 2-(2-amino-5-chloro-6-methyl-4-pyrimidylthio)-, ethyl ester
Alternate Name(s) 2-[(2-amino-5-chloro-6-methyl-4-pyrimidinyl)thio]acetic acid ethyl ester 2-[(2-amino-5-chloro-6-methyl-pyrimidin-4-yl)thio]acetic acid ethyl ester Ethyl 2-(2-amino-5-chloro-6-methyl-pyrimidin-4-yl)sulfanylacetate Ethyl 2-(2-azanyl-5-chloranyl-6-methyl-pyrimidin-4-yl)sulfanylethanoate
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Formula C9H12ClN3O2S
InChI InChI=1S/C9H12ClN3O2S/c1-3-15-6(14)4-16-8-7(10)5(2)12-9(11)13-8/h3-4H2,1-2H3,(H2,11,12,13)
InChIKey ZMZXXPDLOGZBHO-UHFFFAOYSA-N
Molecular Weight 261.727 g/mol
SMILES Nc1nc(c(Cl)c(n1)C)SCC(=O)OCC
SPLASH splash10-000f-8910000000-cee414382fde485ae398
Wiley ID 1456206