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<compound>
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  <title nil="true"/>
  <common-name>8-[5-(1,3-dimethyl-6-oxo-2-sulfanylidene-7h-purin-8-yl)pentyl]-1,3-dimethyl-2-sulfanylidene-7h-purin-6-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>201650</pubchem-id>
  <chemical-formula>C19H24N8O2S2</chemical-formula>
  <weight>460.6</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">2026-08-29T17:21:52Z</created-at>
  <updated-at type="dateTime">2026-08-29T17:21:52Z</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>CN1C2=C(C(=O)N(C1=S)C)NC(=N2)CCCCCC3=NC4=C(N3)C(=O)N(C(=S)N4C)C</moldb-smiles>
  <moldb-formula>C19H24N8O2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C19H24N8O2S2/c1-24-14-12(16(28)26(3)18(24)30)20-10(22-14)8-6-5-7-9-11-21-13-15(23-11)25(2)19(31)27(4)17(13)29/h5-9H2,1-4H3,(H,20,22)(H,21,23)</moldb-inchi>
  <moldb-inchikey>BCADCRQRLZMCMC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">460.1463644</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.1</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>CHEM314826</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-[5-(1,3-dimethyl-6-oxo-2-sulfanylidene-7h-purin-8-yl)pentyl]-1,3-dimethyl-2-sulfanylidene-7h-purin-6-one</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>CED0269720</sync-id>
  <structure-inchikey>BCADCRQRLZMCMC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000900040010000000000000000000000000000000000000000000000000020000000000000002000000000000000000000000000000180000000000000080000000000000000000820000000002200000000000000000000000000000000000000000000000000000000000100000000000000000000000000000040000000000000200000014000000000800000000000041000000000000000000000000000000000080000000000100000000000000000000000002000000000000000000000000000000000000000208000040000004004080000000000000000000001000000000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������"���€���`������@(������@(������@(������@(�������(������@(������@(�������(�������`������@8�������@(������@(�������`�������`�������`�������`�������`������@(������@(������@(������@(������@8�������@(�������(������@(������@(�������(������@(�������`�������`�����������h���h���h���(���h���h���(��	��
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���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:24:22Z</structure-indexed-at>
</compound>
