| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:12 UTC |
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| Update Date | 2025-03-25 01:01:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N4OS |
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| Molecular Mass | 196.0419 |
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| SMILES | COc1nc(SC)c2[nH]cnc2n1 |
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| InChI Key | SPUOFZBDIXBKCT-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 | alkyl aryl ethersalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganonitrogen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | ethersulfenyl compoundazacycleheteroaromatic compoundalkyl aryl etheralkylarylthioetherorganosulfur compoundaryl thioetherpyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundthioetherimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundazole |
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