316732 <common-name>8-[(e)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione</common-name> <description>8-[(e)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione is a chemical compound with the formula C19H19BrN4O4. It has an average molecular weight of 447.30 g/mol.</description> <cas>155271-89-9</cas> <pubchem-id>6448935</pubchem-id> <chemical-formula>C19H19BrN4O4</chemical-formula> <weight>447.3</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">2026-08-29T14:32:49Z</created-at> <updated-at type="dateTime">2026-08-29T14:32:49Z</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=CC4=C(C=C3Br)OCO4)C</moldb-smiles> <moldb-formula>C19H19BrN4O4</moldb-formula> <moldb-inchi>InChI=1S/C19H19BrN4O4/c1-4-23-17-16(18(25)24(5-2)19(23)26)22(3)15(21-17)7-6-11-8-13-14(9-12(11)20)28-10-27-13/h6-9H,4-5,10H2,1-3H3/b7-6+</moldb-inchi> <moldb-inchikey>WPFKQWXMYQDFCI-VOTSOKGWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">446.05897</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM312625</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-(6-bromo-1,3-benzodioxol-5-yl)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>CED0267564</sync-id> <structure-inchikey>WPFKQWXMYQDFCI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000008000000002000000000000000000000000000000000000000000020000200000000000800060000000000000004000000000000000c0001000000400080100000000000000000020800000000200000000802000000010000000200000005000200000100000000000020100000040000010000000000000000040000000040000000000204000000000080000000000000000000800000000000000000004000000080000000000000080000000000040000000000004000000000000000080000100000000000000008001000000000000000000000080000000000001010040000000400000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAHwAAAIABBgBgAAAAAQMGAGAAAAAC AgdAKAAAAAMDBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMECAAoAAAAAwIHQCgA AAADAwZAKAAAAAMECAAoAAAAAwIGAGAAAAACAgYAYAAAAAEDB0AoAAAAAwMG QCgAAAADBAdAKAAAAAMDBgBoAAAAAwMBBgBoAAAAAwMBBkAoAAAAAwQGQGgA AAADAwEGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQjACAAAAAB CAAoAAAAAwIGAGAAAAACAggAKAAAAAMCBgBgAAAAAQMLAAEAAQIAAgNoDAME aAwEBWgMBQYoAgUHaAwHCGgMCAkoAgcKAAoLAAQMaAwMDWgMDQ5oDA0PIA8Q KAIQESAREmgMEhNoDBMUaAwUFWgMFRZoDBYXABQYIBgZABkaAAwbAAgCaAwO A2gMFhFoDBoTIEIEAAAABgIIBwUEAwUMBAMODQYSExQVFhEFGBQTGhkXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:44Z</structure-indexed-at> </compound>