| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:57:47 UTC |
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| Update Date | 2025-03-21 18:54:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00199087 |
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| Frequency | 31.6 |
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| Structure | |
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| Chemical Formula | C14H16N6O3S |
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| Molecular Mass | 348.1005 |
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| SMILES | COc1c(C)cnc(CS(=O)c2nc3c(=O)nc(N)[nH]c3[nH]2)c1C |
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| InChI Key | QZHJJIVYAKGSJX-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 | 2-halopyridinesalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethylpyridinesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminespurines and purine derivativespyrimidonessulfinyl compoundssulfoxidesvinylogous amides |
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| Substituents | etherpolyhalopyridinepyrimidonealkyl aryl etherorganosulfur compoundpyrimidineorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineazolevinylogous amideazacycleheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundsulfoxidehypoxanthinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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