| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:43 UTC |
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| Update Date | 2025-03-21 18:06:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063846 |
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| Frequency | 108.6 |
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| Structure | |
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| Chemical Formula | C6H6N4OS |
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| Molecular Mass | 182.0262 |
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| SMILES | CSc1nc(=O)c2[nH]cnc2[nH]1 |
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| InChI Key | OTLARBCFYJPBDK-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 | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspurines and purine derivativespyrimidonessulfenyl compoundsvinylogous amides |
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| Substituents | pyrimidonealkylarylthioetherorganosulfur compoundaryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolevinylogous amidesulfenyl compoundazacycleheteroaromatic compoundorganic oxygen compoundthioetherhypoxanthinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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