| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:51 UTC |
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| Update Date | 2025-03-25 00:49:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175838 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O2 |
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| Molecular Mass | 247.1321 |
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| SMILES | CC1=CC(C)=C(C)C1N1C=C(C(N)=O)CNC1=O |
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| InChI Key | QIQSXNAPCLPXOB-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydropyrimidinesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amidecarbonyl groupcarbonic acid derivativeazacyclepyrimidone1,2,3,4-tetrahydropyrimidinecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundhydropyrimidineorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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