| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:06 UTC |
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| Update Date | 2025-03-21 18:02:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038801 |
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| Frequency | 100.4 |
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| Structure | |
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| Chemical Formula | C8H11N5S |
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| Molecular Mass | 209.0735 |
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| SMILES | CSCCNc1ncnc2nc[nH]c12 |
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| InChI Key | AKOKVIOLKKBJBJ-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 | azacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganopnictogen compoundspyrimidines and pyrimidine derivativessecondary alkylarylaminessulfenyl compounds |
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| Substituents | sulfenyl compoundazacycledialkylthioetherheteroaromatic compoundsecondary amineorganosulfur compoundsecondary aliphatic/aromatic aminepyrimidinearomatic heteropolycyclic compoundthioetherimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepurineorganic nitrogen compoundimidolactamamineazole |
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