| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:39 UTC |
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| Update Date | 2025-03-25 00:49:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175408 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14N6O2 |
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| Molecular Mass | 310.1178 |
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| SMILES | CC(=O)c1ccc(NCc2cnc3c(=O)[nH]c(N)nc3n2)cc1 |
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| InChI Key | TWFHGBZDQPNVCF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetophenonesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespterins and derivativespyrazinespyrimidonessecondary alkylarylamines |
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| Substituents | monocyclic benzene moietylactamaryl alkyl ketonebenzoylpyrimidonepteridinepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundacetophenoneorganopnictogen compoundorganoheterocyclic compoundpterinazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminepyrazinephenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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