326124 <common-name>8-[benzyl(methyl)amino]-7-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione</common-name> <description>8-[benzyl(methyl)amino]-7-[(3-bromophenyl)methyl]-3-methylpurine-2,6-dione is a chemical compound with the formula C21H20BrN5O2. It has an average molecular weight of 454.30 g/mol.</description> <cas>332905-00-7</cas> <pubchem-id>1124819</pubchem-id> <chemical-formula>C21H20BrN5O2</chemical-formula> <weight>454.3</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">2026-08-30T04:11:10Z</created-at> <updated-at type="dateTime">2026-08-30T04:11:10Z</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)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC(=CC=C4)Br</moldb-smiles> <moldb-formula>C21H20BrN5O2</moldb-formula> <moldb-inchi>InChI=1S/C21H20BrN5O2/c1-25(12-14-7-4-3-5-8-14)20-23-18-17(19(28)24-21(29)26(18)2)27(20)13-15-9-6-10-16(22)11-15/h3-11H,12-13H2,1-2H3,(H,24,28,29)</moldb-inchi> <moldb-inchikey>OQVZYAILXVOOAU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">453.08004</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>CHEM322017</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-[benzyl(methyl)amino]-7-[(3-bromophenyl)methyl]-3-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>CED0276749</sync-id> <structure-inchikey>OQVZYAILXVOOAU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000800000000000000000000000000000000000000000000000000000000020000100000000002004000000000000000000000004000410000000000000080000000000000000000020000000000000000000800082020200000000200000000000000000104000000400010100000000000000000000000401000040200000800400200000005000100000000100000080100000000000000008000000000000000000080000000000000080000004002000000000000000000000000000000000200100000000000000008000000000004220040000000000000000000089000044000000000000000000000000000000000000000000</structure-fingerprint> 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