327494 <common-name>8-[(e)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7h-purine-2,6-dione</common-name> <description>8-[(e)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7h-purine-2,6-dione is a chemical compound with the formula C21H25BrN4O4. It has an average molecular weight of 477.40 g/mol.</description> <cas>151539-51-4</cas> <pubchem-id>6448803</pubchem-id> <chemical-formula>C21H25BrN4O4</chemical-formula> <weight>477.4</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">2026-08-30T06:40:18Z</created-at> <updated-at type="dateTime">2026-08-30T06:40:18Z</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)NC(=N2)C=CC3=CC(=C(C=C3Br)OC)OC</moldb-smiles> <moldb-formula>C21H25BrN4O4</moldb-formula> <moldb-inchi>InChI=1S/C21H25BrN4O4/c1-5-9-25-19-18(20(27)26(10-6-2)21(25)28)23-17(24-19)8-7-13-11-15(29-3)16(30-4)12-14(13)22/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,23,24)/b8-7+</moldb-inchi> <moldb-inchikey>CKBRAGQBHPLRNS-BQYQJAHWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">476.10592</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM323387</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-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7h-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>CED0278101</sync-id> <structure-inchikey>CKBRAGQBHPLRNS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000000000400000000002000020000000000080002000000000000000000100000000000080000000000000000000000000000000000020000000002300000000800000000018000020200008005040000000100000000000000100008040000000000008000000000040000000040000200800004000000040000000000000000400000800100000000000000000000800080000000000000000000000000000000000002080000000000000000000000100000000000080008001000000004000000000000000000000000001000040000000002000000000000020000000000000000000</structure-fingerprint> 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