| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:54 UTC |
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| Update Date | 2025-03-21 18:33:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097853 |
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| Frequency | 80.5 |
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| Structure | |
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| Chemical Formula | C13H14N6O4S |
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| Molecular Mass | 350.0797 |
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| SMILES | COc1ccnc(CS(=O)c2nc3c(=O)nc(N)[nH]c3[nH]2)c1OC |
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| InChI Key | FRHHEKDBYVHJRP-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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