| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:06 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160415 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7N5O2 |
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| Molecular Mass | 205.06 |
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| SMILES | Nc1ccc2c(=O)nc(N)[nH]c2c(=O)n1 |
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| InChI Key | HTWJEKCIKJNPCE-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 | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonesvinylogous amides |
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| Substituents | vinylogous amideazacycleheteroaromatic compoundpyrimidonepyrimidineorganic oxideazepineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamineorganooxygen compound |
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