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(2,6-diamino-4-oxo-1H-pyrimidin-5-yl) thiocyanate
SpectraBase Compound ID L8tBJ876Xnm
InChI InChI=1S/C5H5N5OS/c6-1-12-2-3(7)9-5(8)10-4(2)11/h(H5,7,8,9,10,11)
InChIKey WXJXCKXWZOPRJT-UHFFFAOYSA-N
Mol Weight 183.19 g/mol
Molecular Formula C5H5N5OS
Exact Mass 183.021481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HU629tLAtUR
Name (2,6-diamino-4-oxo-1H-pyrimidin-5-yl) thiocyanate
CAS Registry Number 22288-75-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5N5OS
InChI InChI=1S/C5H5N5OS/c6-1-12-2-3(7)9-5(8)10-4(2)11/h(H5,7,8,9,10,11)
InChIKey WXJXCKXWZOPRJT-UHFFFAOYSA-N
Molecular Weight 183.189 g/mol
SMILES Nc1c(c(nc(n1)N)O)SC#N
SPLASH splash10-001u-2900000000-1d02b1a54d52314c1fba
Source of Spectrum Y-17-1590-0
Synonyms thiocyanic acid (2,6-diamino-4-keto-1H-pyrimidin-5-yl) ester thiocyanic acid (2,6-diamino-4-oxo-1H-pyrimidin-5-yl) ester
Wiley ID 1179444