| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:47 UTC |
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| Update Date | 2025-03-25 00:58:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230489 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9N5O3S |
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| Molecular Mass | 231.0426 |
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| SMILES | CN1c2c([nH]c(N)nc2=O)NCS1(=O)=O |
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| InChI Key | IJVOGJBLWPMDIR-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic sulfonamidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alkylarylaminesvinylogous amides |
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| Substituents | vinylogous amideorganosulfonic acid or derivativesazacycleheteroaromatic compoundpyrimidonesecondary aminesecondary aliphatic/aromatic amineorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic sulfonic acid amideamineorganooxygen compound |
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