331300 <common-name>8-[benzyl(methyl)amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione</common-name> <description>8-[benzyl(methyl)amino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione is a chemical compound with the formula C22H23N5O3. It has an average molecular weight of 405.40 g/mol.</description> <cas>476481-69-3</cas> <pubchem-id>664757</pubchem-id> <chemical-formula>C22H23N5O3</chemical-formula> <weight>405.4</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">2026-08-30T12:04:25Z</created-at> <updated-at type="dateTime">2026-08-30T12:04:25Z</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)CCOC4=CC=CC=C4</moldb-smiles> <moldb-formula>C22H23N5O3</moldb-formula> <moldb-inchi>InChI=1S/C22H23N5O3/c1-25(15-16-9-5-3-6-10-16)21-23-19-18(20(28)24-22(29)26(19)2)27(21)13-14-30-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,24,28,29)</moldb-inchi> <moldb-inchikey>IFGPMCACUUNKDM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">405.1800896</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM327193</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]-3-methyl-7-(2-phenoxyethyl)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>Imidazopyrimidines</klass> <subklass>Purines and purine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281838</sync-id> <structure-inchikey>IFGPMCACUUNKDM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000080000200000000000000000000000000000000000000000000000000002020000000000000200400000000000000000000000000041000000000000028000000000000000000002000000000010000000000000202000000000021000000000000000000400000000001010000000000000000000000042000004020000080040020000000500010000000010000008000000000000000000800000000000000000008000000000000008008000400200000000000000000000000000000000020000000000000000000800000000000422000000000000000000080008b000044000000000000000000000000000000000000000000</structure-fingerprint> 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