| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:17 UTC |
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| Update Date | 2025-03-25 00:54:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204200 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9N5 |
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| Molecular Mass | 211.0858 |
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| SMILES | c1ccc(Nc2nc3ncncc3[nH]2)cc1 |
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| InChI Key | MVQNETOVPQSKEC-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 | purines and purine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesorganopnictogen compoundspyrimidines and pyrimidine derivativessecondary amines |
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| Substituents | monocyclic benzene moietyazacycleheteroaromatic compoundsecondary aminepyrimidinearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundamineazole |
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