| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:16 UTC |
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| Update Date | 2025-03-21 18:00:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024922 |
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| Frequency | 182.1 |
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| Structure | |
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| Chemical Formula | C13H12N6O |
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| Molecular Mass | 268.1073 |
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| SMILES | Nc1nc(=O)c2nc(CNc3ccccc3)cnc2[nH]1 |
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| InChI Key | LBLNXZIGDJPBJM-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 | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespyrazinespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietypyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundpyrazinephenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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