| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:36 UTC |
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| Update Date | 2025-03-25 00:54:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207185 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9ClN6 |
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| Molecular Mass | 260.0577 |
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| SMILES | Nc1nc(Nc2ccc(Cl)cc2)nc2nc[nH]c12 |
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| InChI Key | DHJJNIHGHNXKED-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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purines and purine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganochloridesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessecondary amines |
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| Substituents | monocyclic benzene moietyorganochlorideorganohalogen compoundpyrimidinearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamazolearyl chloridechlorobenzeneazacycleheteroaromatic compoundsecondary aminearyl halidehydrocarbon derivativebenzenoidprimary aminepurineorganic nitrogen compoundhalobenzeneamine |
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