| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:46 UTC |
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| Update Date | 2025-03-25 00:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235076 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10N4O2 |
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| Molecular Mass | 242.0804 |
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| SMILES | O=c1[nH]c(=O)c2cnn(Cc3ccccc3)c2[nH]1 |
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| InChI Key | HVRJSJHAAMPHAG-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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | xanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkaloids and derivativesazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolespyrazolo[3,4-d]pyrimidinespyrimidonesvinylogous amides |
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| Substituents | monocyclic benzene moietylactampyrimidonepyrazolepyrimidineorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazolepyrazolo[3,4-d]pyrimidinevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundxanthinealkaloid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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