| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:50 UTC |
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| Update Date | 2025-03-25 00:51:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189561 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N6O |
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| Molecular Mass | 340.2012 |
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| SMILES | CC(C)CCc1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1 |
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| InChI Key | MSFFGSCHPWXUNY-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 | pteridines and derivatives |
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| Subclass | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesketiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminesprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | ketiminemonocyclic benzene moietyiminepyrimidonepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidepterinazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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