| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:40:22 UTC |
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| Update Date | 2025-03-21 17:58:42 UTC |
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| HMDB ID | HMDB0014581 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016183 |
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| Name | Allopurinol |
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| Frequency | 703.1 |
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| Structure | |
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| Chemical Formula | C5H4N4O |
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| Molecular Mass | 136.0385 |
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| SMILES | O=c1ncnc2[nH][nH]cc1-2 |
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| InChI Key | OFCNXPDARWKPPY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrazolopyrimidines |
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| Subclass | pyrazolo[3,4-d]pyrimidines |
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| Direct Parent | pyrazolo[3,4-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolespyrimidonesvinylogous amides |
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| Substituents | pyrazolo[3,4-d]pyrimidinevinylogous amideazacycleheteroaromatic compoundpyrimidonepyrazolepyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazole |
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