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3-Pyridinecarbonitrile, 4,6-diamino-5-bromo-1,2-dihydro-2-oxo-
SpectraBase Compound ID GVbvmY6fQok
InChI InChI=1S/C6H5BrN4O/c7-3-4(9)2(1-8)6(12)11-5(3)10/h(H5,9,10,11,12)
InChIKey GDBHOLQEYMZHJK-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 DTBub8yu5iI
Name 3-Pyridinecarbonitrile, 4,6-diamino-5-bromo-1,2-dihydro-2-oxo-
CAS Registry Number 102827-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5BrN4O
InChI InChI=1S/C6H5BrN4O/c7-3-4(9)2(1-8)6(12)11-5(3)10/h(H5,9,10,11,12)
InChIKey GDBHOLQEYMZHJK-UHFFFAOYSA-N
Molecular Weight 229.037 g/mol
SMILES N1C(C(=C(C(Br)=C1N)N)C#N)=O
SPLASH splash10-0fcr-0190000000-6b727f4adf466235a5a5
Source of Spectrum AH-116-1204-3
Synonyms 2-Oxo-3-cyano-4,6-diamino-5-bromo-1(H)-pyridine 4,6-Diamino-5-bromo-2-oxo-1,2-dihydro-3-pyridinecarbonitrile 4,6-Diamino-5-bromo-2-oxo-1H-pyridine-3-carbonitrile 4,6-bis(azanyl)-5-bromanyl-2-oxidanylidene-1H-pyridine-3-carbonitrile
Wiley ID 1228991