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CHEBI:45180 - 3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide

ChEBI IDCHEBI:45180
ChEBI Name3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide
Stars
ASCII Name3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide
Last Modified17 October 2009
DownloadsMolfile
FormulaC25H21N7O3S
Net Charge0
Average Mass499.556
Monoisotopic Mass499.14266
SMILES[H]Oc1nc(N([H])[H])nc2nn(-c3c([H])c([H])c([H])c(C(=O)N([H])C([H])([H])c4c([H])c([H])c([H])c([H])c4Sc4c([H])c([H])c([H])c([H])c4C([H])([H])O[H])c3[H])nc12
InChIInChI=1S/C25H21N7O3S/c26-25-28-22-21(24(35)29-25)30-32(31-22)18-9-5-8-15(12-18)23(34)27-13-16-6-1-3-10-19(16)36-20-11-4-2-7-17(20)14-33/h1-12,33H,13-14H2,(H,27,34)(H3,26,28,29,31,35)
InChIKeyIXDQOBDHBWEZOH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide (CHEBI:45180) is a benzamides (CHEBI:22702)
3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide (CHEBI:45180) is a triazolopyrimidines (CHEBI:48435)
Synonyms  Source
3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDEPDBeChem
3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamidePDBeChem
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