| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:59 UTC |
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| Update Date | 2025-03-25 00:51:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189881 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N5S |
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| Molecular Mass | 221.0735 |
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| SMILES | C=CCSc1nc2c(N)ncn(C)c-2n1 |
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| InChI Key | DCVFQOCDPLCQEE-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 | alkylarylthioethersallyl sulfur compoundsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | sulfenyl compoundazacycleheteroaromatic compoundallyl sulfur compoundalkylarylthioetherorganosulfur compoundaryl thioetherpyrimidinearomatic heteropolycyclic compoundthioetherimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundimidolactamamineazole |
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