| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:41 UTC |
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| Update Date | 2025-03-21 18:30:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080682 |
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| Frequency | 46.1 |
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| Structure | |
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| Chemical Formula | C13H15ClN6O |
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| Molecular Mass | 306.0996 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(Cl)cc1)N2 |
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| InChI Key | STOHKUOMBHABHV-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 aminespyrimidonessecondary 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 compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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