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CHEBI:40279 - allopurinol

ChEBI IDCHEBI:40279
ChEBI Nameallopurinol
Stars
DefinitionA bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.
Secondary ChEBI IDsCHEBI:2601, CHEBI:40276
Last Modified22 February 2017
DownloadsMolfile

FormulaC5H4N4O
Net Charge0
Average Mass136.114
Monoisotopic Mass136.03851
SMILESOc1ncnc2nncc12
InChIInChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyOFCNXPDARWKPPY-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
1H-pyrazolo[3,4-d]pyrimidin-4-ol
Synonyms  Source
AllopurinolKEGG DRUG
Zyloprim (TN)KEGG DRUG
4-Hydroxy-1H-pyrazolo(3,4-d)pyrimidineChemIDplus
1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-oneChemIDplus
1H-Pyrazolo(3,4-d)pyrimidin-4-olChemIDplus
4-HPPNIST Chemistry WebBook
Manual XrefsDatabases
D00224KEGG DRUG
DB00437DrugBank
AllopurinolWikipedia
LSM-5919LINCS
124DrugCentral
Registry NumbersSources
Reaxys:608611Reaxys
CAS:315-30-0KEGG DRUG
CAS:315-30-0ChemIDplus
CAS:315-30-0NIST Chemistry WebBook
Citations