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(5-amino-7-hydroxy-[1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-acetonitrile
SpectraBase Compound ID LsxUoAouZre
InChI InChI=1S/C7H6N6OS/c8-1-2-15-7-12-11-6-10-5(14)3-4(9)13(6)7/h3H,2,9H2,(H,10,11,14)
InChIKey UPTCPLAJBGGGDV-UHFFFAOYSA-N
Mol Weight 222.23 g/mol
Molecular Formula C7H6N6OS
Exact Mass 222.03238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ahboHv3nec
Name (5-amino-7-hydroxy-[1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N6OS
InChI InChI=1S/C7H6N6OS/c8-1-2-15-7-12-11-6-10-5(14)3-4(9)13(6)7/h3H,2,9H2,(H,10,11,14)
InChIKey UPTCPLAJBGGGDV-UHFFFAOYSA-N
Molecular Weight 222.226 g/mol
SMILES NC1=CC(=Nc2[n]1c(nn2)SCC#N)O
SPLASH splash10-0006-9200000000-136d766de9bf750e1b92
Synonyms 2-[(5-amino-7-keto-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetonitrile 2-[(5-amino-7-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetonitrile 2-[(5-amino-7-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetonitrile 2-[(5-azanyl-7-oxidanylidene-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanenitrile
Wiley ID 1511488