| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:58 UTC |
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| Update Date | 2025-03-21 18:34:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102910 |
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| Frequency | 39.8 |
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| Structure | |
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| Chemical Formula | C11H14F3N5S2 |
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| Molecular Mass | 337.0643 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2nc[nH]c12 |
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| InChI Key | JNDPACLVBHNENT-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 | alkyl fluoridesalkylarylthioethersazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganofluoridesorganopnictogen compoundspyrimidines and pyrimidine derivativessecondary alkylarylaminessulfenyl compounds |
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| Substituents | alkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamazolesulfenyl compoundazacyclealkyl fluorideorganofluoridedialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminethioetherhydrocarbon derivativepurineorganic nitrogen compoundamine |
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