339779 <common-name>8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione</common-name> <description>8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)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>476479-96-6</cas> <pubchem-id>1081300</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">2026-08-30T23:09:59Z</created-at> <updated-at type="dateTime">2026-08-30T23:09:59Z</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)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CC4=CC=CC5=CC=CC=C54</moldb-smiles> <moldb-formula>C24H28N6O3</moldb-formula> <moldb-inchi>InChI=1S/C24H28N6O3/c1-26-21-20(22(32)27(2)24(26)33)30(16-18-8-5-7-17-6-3-4-9-19(17)18)23(25-21)29-12-10-28(11-13-29)14-15-31/h3-9,31H,10-16H2,1-2H3</moldb-inchi> <moldb-inchikey>BHQJOAYRTXYKJX-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>2</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>CHEM335672</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-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)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>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0290197</sync-id> <structure-inchikey>BHQJOAYRTXYKJX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000002080000000000000000000000000000404000200000000000000000000002000000000000000200000810000000000000000400000048000000000000008000000000000000000006000000000000000000000000000001000000021002000000000000000000000004002010000000000000000000000800100004000000180008000000000400000000000010000400000000020000000000010000000000404040008000000000000008000000000a000000800000000000000040000040000000000000000000040008000000000000200040000010000000000000001000041000000000000000000000000000000000000000000</structure-fingerprint> 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