| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:02 UTC |
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| Update Date | 2025-03-21 18:35:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107983 |
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| Frequency | 24.9 |
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| Structure | |
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| Chemical Formula | C12H11N7 |
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| Molecular Mass | 253.1076 |
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| SMILES | NC1=Nc2nc(N)c(-c3ccccc3)c(n2)C(N)=N1 |
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| InChI Key | UZNFNYYXYVNSLB-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 | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amidinesazacyclic compoundsbenzene and substituted derivativescarboximidamidesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyazacycleheteroaromatic compoundorganic 1,3-dipolar compoundamidinecarboximidamidepyrimidinepropargyl-type 1,3-dipolar organic compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundimidolactamamine |
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