<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">323281</id>
  <title nil="true"/>
  <common-name>8-[(e)-2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione</common-name>
  <description>8-[(e)-2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione is a compound with the formula C20H24N4O3. It has an average molecular weight of 368.40 g/mol.</description>
  <cas>155271-29-7</cas>
  <pubchem-id>6448875</pubchem-id>
  <chemical-formula>C20H24N4O3</chemical-formula>
  <weight>368.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-29T23:56:33Z</created-at>
  <updated-at type="dateTime">2026-08-29T23:56:33Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC=C(C=C3)OCC)C</moldb-smiles>
  <moldb-formula>C20H24N4O3</moldb-formula>
  <moldb-inchi>InChI=1S/C20H24N4O3/c1-5-23-18-17(19(25)24(6-2)20(23)26)22(4)16(21-18)13-10-14-8-11-15(12-9-14)27-7-3/h8-13H,5-7H2,1-4H3/b13-10+</moldb-inchi>
  <moldb-inchikey>NFTRCEYCKWZRHF-JLHYYAGUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">368.1848406</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM319174</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>8-[(e)-2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Imidazopyrimidines</klass>
  <subklass>Purines and purine derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0273968</sync-id>
  <structure-inchikey>NFTRCEYCKWZRHF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40200000000400800002000200000000000000000000000000000400000000000002000020200000000080002000000000000000000000000000000080001000000400080100800000000000000020000000000300000200000000000010000000200000001000200000020000000000000100000000000010000000000000000040000000000000000000204000000000080000000000020000000000000000000000000000000000080000000000000080080000000040000000000004000000000000000080000000000000000000008000000000000200000000000000000000000001000040000000000000000000000000000000000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAHQAAAIABBgBgAAAAAQMGAGAAAAAC
AgdAKAAAAAMDBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMECAAoAAAAAwIHQCgA
AAADAwZAKAAAAAMECAAoAAAAAwIGAGAAAAACAgYAYAAAAAEDB0AoAAAAAwMG
QCgAAAADBAdAKAAAAAMDBgBoAAAAAwMBBgBoAAAAAwMBBkAoAAAAAwQGQGgA
AAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQgAKAAA
AAMCBgBgAAAAAgIGAGAAAAABAwYAYAAAAAEDCwABAAECAAIDaAwDBGgMBAVo
DAUGKAIFB2gMBwhoDAgJKAIHCgAKCwAEDGgMDA1oDA0OaAwNDyAPECgCEBEg
ERJoDBITaAwTFGgMFBVoDBUWaAwUFyAXGAAYGQAMGgAIAmgMDgNoDBYRaAxC
AwAAAAYCCAcFBAMFDAQDDg0GEhMUFRYRFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:27:40Z</structure-indexed-at>
</compound>
