| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:20 UTC |
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| Update Date | 2025-03-21 18:03:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044159 |
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| Frequency | 82.5 |
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| Structure | |
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| Chemical Formula | C13H11ClN6O |
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| Molecular Mass | 302.0683 |
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| SMILES | Nc1nc(=O)c2nc(CNc3ccc(Cl)cc3)cnc2[nH]1 |
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| InChI Key | QRMNMHNWPLPGHQ-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 | aryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespyrazinespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietyorganochloridepyrimidoneorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenevinylogous amidepterinazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halideorganic oxygen compoundpyrazinephenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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