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2-Methyl-5-bromo-4(3H)-oxo-7H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID B0bFdfdbmIz
InChI InChI=1S/C6H5BrN4O/c1-2-8-5-3(6(12)9-2)4(7)10-11-5/h1H3,(H2,8,9,10,11,12)
InChIKey TVHDWXFEGVXMNE-UHFFFAOYSA-N
Mol Weight 229.04 g/mol
Molecular Formula C6H5BrN4O
Exact Mass 227.964674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NZWr6SeS7c
Name 2-Methyl-5-bromo-4(3H)-oxo-7H-pyrazolo[3,4-d]pyrimidine
Alternate Name(s) 2-Methyl-5-bromo-4(3H)-hydroxy-7H-pyrazolo[3,4-d]pyrimidine 3-Bromo-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5BrN4O
InChI InChI=1S/C6H5BrN4O/c1-2-8-5-3(6(12)9-2)4(7)10-11-5/h1H3,(H2,8,9,10,11,12)
InChIKey TVHDWXFEGVXMNE-UHFFFAOYSA-N
Molecular Weight 229.037 g/mol
SMILES Oc1nc(nc2c1c(n[nH]2)Br)C
SPLASH splash10-0059-0090000000-a5d0b9e86405ce50a048
Source of Spectrum F-48-8095-15
Wiley ID 1228993