| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:12 UTC |
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| Update Date | 2025-03-21 18:32:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088866 |
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| Frequency | 31.9 |
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| Structure | |
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| Chemical Formula | C14H15ClN6O2 |
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| Molecular Mass | 334.0945 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(Cl)cc1)N2C=O |
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| InChI Key | MEAQEHGOAYLCMY-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 | amino acids and derivativesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylalkylaminesprimary aminespyrimidonessecondary alkylarylaminestertiary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupamino acid or derivativesorganochloridepyrimidonecarboxylic acid derivativeorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenevinylogous amidepterinazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminearyl halideorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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