339780 <common-name>7-benzyl-3-methyl-8-[methyl-[5-(piperidin-1-ylmethyl)furan-2-yl]amino]purine-2,6-dione</common-name> <description>7-benzyl-3-methyl-8-[methyl-[5-(piperidin-1-ylmethyl)furan-2-yl]amino]purine-2,6-dione is a chemical compound with the formula C24H28N6O3. It has an average molecular weight of 448.50 g/mol.</description> <cas>793627-48-2</cas> <pubchem-id>3064735</pubchem-id> <chemical-formula>C24H28N6O3</chemical-formula> <weight>448.5</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">2026-08-30T23:10:03Z</created-at> <updated-at type="dateTime">2026-08-30T23:10:03Z</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)C3=CC=C(O3)CN4CCCCC4)CC5=CC=CC=C5</moldb-smiles> <moldb-formula>C24H28N6O3</moldb-formula> <moldb-inchi>InChI=1S/C24H28N6O3/c1-27(19-12-11-18(33-19)16-29-13-7-4-8-14-29)23-25-21-20(22(31)26-24(32)28(21)2)30(23)15-17-9-5-3-6-10-17/h3,5-6,9-12H,4,7-8,13-16H2,1-2H3,(H,26,31,32)</moldb-inchi> <moldb-inchikey>NIKURQAJFPUVNH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">448.2222888</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>CHEM335673</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>7-benzyl-3-methyl-8-[methyl-[5-(piperidin-1-ylmethyl)furan-2-yl]amino]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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0290198</sync-id> <structure-inchikey>NIKURQAJFPUVNH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000004000800000000000000000000000000000000000000000200000000000000020000100000000002004000000000000000000000000000400000000000000080000000001000040000020800000000000800000000002020000008000200000000000800000004000000000020100000000000000000000000c00000040200000800000200000004000100000000100000080000000000000000008000000000002000000080000000002004080000004008000000000000000000000000000000800200000000000000010008000010000084220040000014000000000000081000044000000000000020000000000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAhAAAAJQAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAgAKAAAAAMCB0A4AAAAAwEDBkAo AAAAAwQIACgAAAADAgdAKAAAAAMDBkAoAAAAAwQHQCgAAAADAwcAKAAAAAMD BgBgAAAAAQMGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMECEAo AAAAAwIGAGAAAAACAgcAIAAAAAMGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG AGAAAAACAgYAYAAAAAICBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAaAAA AAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsAAQABAmgMAgNoDAME aAwEBSgCBAZoDAYHaAwHCCgCAwloDAkKaAwKC2gMCgwgDA0ADA4gDg9oDA8Q aAwQEWgMERJoDBETABMUABQVABUWABYXABcYABgZAAkaABobABscaAwcHWgM HR5oDB4faAwfIGgMBwFoDAsCaAwSDmgMGRQAIBtoDEIFAAAABgEHBgQDAgUL CgkDAgUPDhIREAYVFhcYGRQGHB0eHyAbFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:40:12Z</structure-indexed-at> </compound>