323326 <common-name>3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol</common-name> <description>3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol is a chemical compound with the formula C20H24N6O4. It has an average molecular weight of 412.40 g/mol.</description> <cas nil="true"/> <pubchem-id>216544</pubchem-id> <chemical-formula>C20H24N6O4</chemical-formula> <weight>412.4</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">2026-08-29T23:59:44Z</created-at> <updated-at type="dateTime">2026-08-29T23:59:44Z</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>C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4N=CN5CC(CO)O</moldb-smiles> <moldb-formula>C20H24N6O4</moldb-formula> <moldb-inchi>InChI=1S/C20H24N6O4/c27-10-15(28)9-26-12-23-18-19(21-11-22-20(18)26)25-5-3-24(4-6-25)8-14-1-2-16-17(7-14)30-13-29-16/h1-2,7,11-12,15,27-28H,3-6,8-10,13H2</moldb-inchi> <moldb-inchikey>QUIHFBYNUQWEOO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">412.1859033</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.3</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>CHEM319219</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>3-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]propane-1,2-diol</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>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0274012</sync-id> <structure-inchikey>QUIHFBYNUQWEOO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000020800000000000200004000000000000004002100000000000000000000200000000000000002000000100000000400000000020400000000000000000000000000000000000000000800000000000000000802080000000008000010000000000000000100800000020020900000000000000000000000010000000000000010000000000000000000000000000000000000000000000000000000000000004000001080000000000000000090000808000400820000000000000000000000000000000010000000000008000000800000220041000010080200000000000010040000000400020000000000000400000000000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIgAAAIABBgBgAAAAAgIGAGAAAAAC AgcAKAAAAAMDBgBgAAAAAgIGAGAAAAACAgcAIAAAAAMGAGAAAAACAgZAKAAA AAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQgAKAAAAAMCBgBgAAAAAgIIACgAAAADAgZAKAAAAAMEB0AoAAAAAwMGQGgA AAADAwEHQCgAAAADAwZAKAAAAAMEBkAoAAAAAwQHQCgAAAADAwZAaAAAAAMD AQdAKAAAAAMDBgBgAAAAAgIGAGAAAAADAQYAYAAAAAICCABgAAAAAQEIAGAA AAABAQsAAQABAgACAwADBAAEBQAFBgAGBwAHCGgMCAloDAkKaAwKC2gMCwxo DAoNIA0OAA4PAAIQIBARaAwREmgMEhNoDBMUaAwUFWgMFRZoDBYXaAwXGGgM GBkAGRoAGhsAGxwAGh0ABQAADAdoDA8JIBUQaAwYFGgMQgUAAAAGAAUEAwIB BggJCgsMBwUNCgkPDgYREhMUFRAFFhUUGBcXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:27:44Z</structure-indexed-at> </compound>