312019 <common-name>8-[(e)-2-(4-bromophenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione</common-name> <description>8-[(e)-2-(4-bromophenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione is a chemical compound with the formula C18H19BrN4O2. It has an average molecular weight of 403.30 g/mol.</description> <cas>155271-71-9</cas> <pubchem-id>6448917</pubchem-id> <chemical-formula>C18H19BrN4O2</chemical-formula> <weight>403.3</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">2026-08-29T08:20:13Z</created-at> <updated-at type="dateTime">2026-08-29T08:20:13Z</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)Br)C</moldb-smiles> <moldb-formula>C18H19BrN4O2</moldb-formula> <moldb-inchi>InChI=1S/C18H19BrN4O2/c1-4-22-16-15(17(24)23(5-2)18(22)25)21(3)14(20-16)11-8-12-6-9-13(19)10-7-12/h6-11H,4-5H2,1-3H3/b11-8+</moldb-inchi> <moldb-inchikey>OWFCOACMIUPNMS-DHZHZOJOSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">402.06914</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM307912</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-bromophenyl)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>CED0262961</sync-id> <structure-inchikey>OWFCOACMIUPNMS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40200000000000800000000200000000000000000000000000000000000000000002000020000000000080002000000000000000000000000000000080001000000400080100800000000000000020000000000200000000800000000010000000200000001000200000020000000400000100000000000010000000000000000040000000000000000000204004000000080000000000000000000000000000000000000000000000080000000000000080000000000040000000000004000000000000000080000100004000000000008000000000000200000000000000000000000001000040000000000000000000000000000000000000004000</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���h���h�B���������������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:03Z</structure-indexed-at> </compound>