| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:25 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179465 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13N5O |
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| Molecular Mass | 255.112 |
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| SMILES | COc1cccc(CNc2ncnc3nc[nH]c23)c1 |
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| InChI Key | JLFVTVWYTKYYPS-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 | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmethoxybenzenesorganopnictogen compoundsphenoxy compoundspyrimidines and pyrimidine derivativessecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetheralkyl aryl etherpyrimidinearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamazoleazacycleheteroaromatic compoundsecondary aminemethoxybenzenesecondary aliphatic/aromatic amineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidpurineorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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