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3-Pyridinecarbonitrile, 2,4-diamino-5-bromo-1,6-dihydro-6-oxo-
SpectraBase Compound ID HXPHS2qbbxR
InChI InChI=1S/C6H5BrN4O/c7-3-4(9)2(1-8)5(10)11-6(3)12/h(H5,9,10,11,12)
InChIKey OPVVNCLQSPOKBS-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 1rypfEUeu4X
Name 3-Pyridinecarbonitrile, 2,4-diamino-5-bromo-1,6-dihydro-6-oxo-
CAS Registry Number 102827-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5BrN4O
InChI InChI=1S/C6H5BrN4O/c7-3-4(9)2(1-8)5(10)11-6(3)12/h(H5,9,10,11,12)
InChIKey OPVVNCLQSPOKBS-UHFFFAOYSA-N
Molecular Weight 229.037 g/mol
SMILES N1C(C(=C(C(=C1N)C#N)N)Br)=O
SPLASH splash10-0060-0090000000-13b1f1cff97677251947
Source of Spectrum AH-116-1204-4
Synonyms 2,4-Diamino-5-bromo-6-oxo-1,6-dihydro-3-pyridinecarbonitrile 2-Oxo-3-bromo-4,6-diamino-5-cyano-1(H)-pyridine 2,4-Diamino-5-bromo-6-oxo-1H-pyridine-3-carbonitrile 2,4-bis(azanyl)-5-bromanyl-6-oxidanylidene-1H-pyridine-3-carbonitrile
Wiley ID 1228992