| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:10 UTC |
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| Update Date | 2025-03-25 00:51:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185702 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11N5O2 |
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| Molecular Mass | 257.0913 |
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| SMILES | Nc1nc(=O)c2nc(CNc3ccccc3)oc2[nH]1 |
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| InChI Key | KKCBCRBHMAUBBE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolesprimary aminespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietyoxazolepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganopnictogen compoundorganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganooxygen compound |
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