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CHEBI:47355 - 5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium

ChEBI IDCHEBI:47355
ChEBI Name5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
Stars
ASCII Name5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
Last Modified5 February 2008
DownloadsMolfile
FormulaC17H14BrN6
Net Charge+1
Average Mass382.245
Monoisotopic Mass381.04578
SMILES[H]c1nc([H])c([H])c(C([H])([H])N([H])c2c([H])c(-c3c([H])c([H])c([H])c(Br)c3[H])nc3nc([H])n([H])[n+]23)c1[H]
InChIInChI=1S/C17H13BrN6/c18-14-3-1-2-13(8-14)15-9-16(24-17(23-15)21-11-22-24)20-10-12-4-6-19-7-5-12/h1-9,11H,10H2,(H,20,21,22,23)/p+1
InChIKeyYWBFPKPWMSWWEA-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium (CHEBI:47355) is a aminoalkylpyridine (CHEBI:38198)
5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium (CHEBI:47355) is a organobromine compound (CHEBI:37141)
5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium (CHEBI:47355) is a triazolopyrimidines (CHEBI:48435)
Synonym  Source
5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-iumPDBeChem
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