RefMet Compound Details

RefMet IDRM0156424
MW structure37425 (View MW Metabolite Database details)
RefMet nameOxypurinol
Systematic name1H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESc1c2c([nH]c(=O)[nH]c2=O)[nH]n1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass152.033426 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H4N4O2View other entries in RefMet with this formula
InChIInChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyHXNFUBHNUDHIGC-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassXanthines
Pubchem CID135398752
ChEBI ID28315
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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