| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:57 UTC |
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| Update Date | 2025-03-25 00:47:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160092 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11N5O2 |
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| Molecular Mass | 257.0913 |
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| SMILES | O=c1[nH]c(=O)c2[nH]c(CNc3ccccc3)nc2[nH]1 |
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| InChI Key | GAKPQOIHDVAERW-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 | purinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | monocyclic benzene moietylactampyrimidonepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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