| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:39 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200494 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N4O2 |
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| Molecular Mass | 246.1117 |
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| SMILES | COc1ccc(Cn2cnc(C(N)=O)c2N)cc1 |
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| InChI Key | WREYUWIMUBVKBL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalkyl aryl ethersamino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmethoxybenzenesn-substituted imidazolesorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary aminesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupmonocyclic benzene moietyetheraromatic heteromonocyclic compoundamino acid or derivativesalkyl aryl ethercarboxylic acid derivative2-heteroaryl carboxamideorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazolevinylogous amideazacycleheteroaromatic compoundcarboxamide groupmethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativeprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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