| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:02 UTC |
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| Update Date | 2025-03-21 18:04:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048220 |
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| Frequency | 91.1 |
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| Structure | |
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| Chemical Formula | C6H6N4OS |
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| Molecular Mass | 182.0262 |
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| SMILES | Cn1c(=S)[nH]c2nc[nH]c2c1=O |
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| InChI Key | DHBWRFRROOLLSQ-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 | xanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-thiopyrimidinesalkaloids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidinethionespyrimidonesthioureasthioxanthinesvinylogous amides |
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| Substituents | thiourealactampyrimidinethionepyrimidoneorganosulfur compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-thiopyrimidineazolevinylogous amideazacycleheteroaromatic compoundxanthinethioxanthinealkaloid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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