| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:07:34 UTC |
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| Update Date | 2025-03-24 14:12:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00788682 |
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| Frequency | 1.9 |
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| Structure | |
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| Chemical Formula | C4H4ClN3 |
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| Molecular Mass | 129.0094 |
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| SMILES | Nc1ccnc(Cl)n1 |
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| InChI Key | LPBDZVNGCNTELM-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | 2-halopyrimidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganochloridesorganopnictogen compoundsprimary amines |
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| Substituents | aryl chloride2-halopyrimidinearomatic heteromonocyclic compoundazacycleorganochlorideheteroaromatic compoundorganohalogen compoundaryl halideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamine |
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