<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337031</id>
  <title nil="true"/>
  <common-name>7-methyl-1,3-dipropyl-8-[(e)-2-(2,3,4-trimethoxyphenyl)ethenyl]purine-2,6-dione</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>6448758</pubchem-id>
  <chemical-formula>C23H30N4O5</chemical-formula>
  <weight>442.5</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">2026-08-30T19:43:39Z</created-at>
  <updated-at type="dateTime">2026-08-30T19:43:39Z</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>CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=C(C(=C(C=C3)OC)OC)OC)C</moldb-smiles>
  <moldb-formula>C23H30N4O5</moldb-formula>
  <moldb-inchi>InChI=1S/C23H30N4O5/c1-7-13-26-21-18(22(28)27(14-8-2)23(26)29)25(3)17(24-21)12-10-15-9-11-16(30-4)20(32-6)19(15)31-5/h9-12H,7-8,13-14H2,1-6H3/b12-10+</moldb-inchi>
  <moldb-inchikey>WZBXVSZNWRBPGC-ZRDIBKRKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">442.2216201</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM332924</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>7-methyl-1,3-dipropyl-8-[(e)-2-(2,3,4-trimethoxyphenyl)ethenyl]purine-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>CED0287479</sync-id>
  <structure-inchikey>WZBXVSZNWRBPGC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800200000200000000000000000000000000000000400000000002000020000400000080002000000000000000000100000000000080001000000400080000000000040000000020000000000300000000000000000010000020200008001040000000000000100000000100000040000010000000000000000040000000004000000000204000000000080000000000000000000800000000000000000000000000080000000000008080000000000000000000000084000010000000010080000000000000000000008000000000000200000000000000000000000001000040000000002000000000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ���������������� ���"���€���`�������`�������`������@(������@(������@(������@(�������(������@(������@(�������(�������`�������`�������`������@(������@(������@(�������h��������h�������@(������@(������@(������@(������@h�������@h��������(�������`�������(�������`�������(�������`�������`�����������������h���h���h���(���h��	h�	
(�����������h���h���h��� ��(��� ��h���h���h���h���h��� ����� ����� ������	�h���h���h�B������	���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:16Z</structure-indexed-at>
</compound>
