| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:55 UTC |
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| Update Date | 2025-03-21 18:37:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117450 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C8H8N4O2S |
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| Molecular Mass | 224.0368 |
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| SMILES | CC(=O)C1=Nc2c([nH]c(N)nc2=O)SC1 |
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| InChI Key | FAVOEWFIAYBUAD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-thiazinesalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesketiminesketonesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonesvinylogous amidesvinylogous thioesters |
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| Substituents | ketiminecarbonyl groupiminepyrimidonealkylarylthioetheraryl thioetherpyrimidinepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidevinylogous thioesterpara-thiazineazacycleheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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