| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:28 UTC |
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| Update Date | 2025-03-21 18:32:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091888 |
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| Frequency | 30.5 |
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| Structure | |
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| Chemical Formula | C6H7N5S |
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| Molecular Mass | 181.0422 |
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| SMILES | CSc1nc(N)c2[nH]cnc2n1 |
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| InChI Key | FXGXEFXCWDTSQK-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 | alkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | sulfenyl compoundazacycleheteroaromatic compoundalkylarylthioetherorganosulfur compoundaryl thioetherpyrimidinearomatic heteropolycyclic compoundthioetherimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundimidolactamamineazole |
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