335556 <common-name>8-[benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione</common-name> <description>8-[benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione is a chemical compound with the formula C23H24BrN5O4. With an average molecular weight of 514.40 g/mol, 8-[benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione is a heavy molecule.</description> <cas>477333-75-8</cas> <pubchem-id>4092406</pubchem-id> <chemical-formula>C23H24BrN5O4</chemical-formula> <weight>514.4</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">2026-08-30T17:45:01Z</created-at> <updated-at type="dateTime">2026-08-30T17:45:01Z</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)CC(COC4=CC=C(C=C4)Br)O</moldb-smiles> <moldb-formula>C23H24BrN5O4</moldb-formula> <moldb-inchi>InChI=1S/C23H24BrN5O4/c1-27(12-15-6-4-3-5-7-15)22-25-20-19(21(31)26-23(32)28(20)2)29(22)13-17(30)14-33-18-10-8-16(24)9-11-18/h3-11,17,30H,12-14H2,1-2H3,(H,26,31,32)</moldb-inchi> <moldb-inchikey>MXYYWCNXBKZDAW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">513.10117</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM331449</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-(4-bromophenoxy)-2-hydroxypropyl]-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>CED0286027</sync-id> <structure-inchikey>MXYYWCNXBKZDAW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800002000200000000000000000000000000100000000000004000000020200000000000002004000000000800000000000000000410000000000000080000000400000000000020200000000100000200800002020000000000210000000000000000004000000400010100000000000000000000000400000040200000800400200000005004100000000100000080000000000000000008000000000000000000080000000000000084080004002000000000000000000000000000000000200100004000000000008000000000004220000000000000000000000089000044000000000020000000000000000000000000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAhAAAAJAAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAgAKAAAAAMCB0A4AAAAAwEDBkAo AAAAAwQIACgAAAADAgdAKAAAAAMDBkAoAAAAAwQHQCgAAAADAwcAKAAAAAMD BgBgAAAAAQMGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBgBgAAAAAgIGAGAAAAADAQYAYAAA AAICCAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBIwAgAAAAAQgAYAAAAAEBCwABAAECaAwCA2gM AwRoDAQFKAIEBmgMBgdoDAcIKAIDCWgMCQpoDAoLaAwKDCAMDQAMDgAODwAP EGgMEBFoDBESaAwSE2gMExRoDAkVABUWABYXABcYABgZIBkaaAwaG2gMGxxo DBwdaAwdHmgMHB8AFiAABwFoDAsCaAwUD2gMHhloDEIEAAAABgEHBgQDAgUL CgkDAgYQERITFA8GGhscHR4ZFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:15Z</structure-indexed-at> </compound>