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ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID 9vzeNHkuWJY
InChI InChI=1S/C14H16N8O3S/c1-4-24-13(23)10-9(6-26-14-16-7(2)5-8(3)17-14)22(21-18-10)12-11(15)19-25-20-12/h5H,4,6H2,1-3H3,(H2,15,19)
InChIKey CRXUZWSRQRRNPK-UHFFFAOYSA-N
Mol Weight 376.4 g/mol
Molecular Formula C14H16N8O3S
Exact Mass 376.106608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jF5HfxMn1w
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-triazolecarboxylic acid ethyl ester
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Formula C14H16N8O3S
InChI InChI=1S/C14H16N8O3S/c1-4-24-13(23)10-9(6-26-14-16-7(2)5-8(3)17-14)22(21-18-10)12-11(15)19-25-20-12/h5H,4,6H2,1-3H3,(H2,15,19)
InChIKey CRXUZWSRQRRNPK-UHFFFAOYSA-N
Molecular Weight 376.395 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)CSc2nc(C)cc(n2)C)non1
SPLASH splash10-0fr6-9620000000-d0817a3665a46fab2086
Synonyms 1-(4-aminofurazan-3-yl)-5-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1445012