202960 <common-name>7-[(e)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione</common-name> <description>7-[(e)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This organoheterocyclic compound has the chemical formula C19H22ClN5O2 and an average molecular weight of 387.90 g/mol.</description> <cas nil="true"/> <pubchem-id>1084955</pubchem-id> <chemical-formula>C19H22ClN5O2</chemical-formula> <weight>387.9</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">2026-08-20T03:18:32Z</created-at> <updated-at type="dateTime">2026-08-20T03:18:32Z</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 nil="true"/> <moldb-formula>C19H22ClN5O2</moldb-formula> <moldb-inchi>InChI=1S/C19H22ClN5O2/c1-12-5-7-14(8-6-12)11-21-18-22-16-15(25(18)10-9-13(2)20)17(26)24(4)19(27)23(16)3/h5-9H,10-11H2,1-4H3,(H,21,22)/b13-9+</moldb-inchi> <moldb-inchikey>SFUACKMNWNWODX-UKTHLTGXSA-N</moldb-inchikey> <moldb-average-mass type="decimal">387.9</moldb-average-mass> <moldb-mono-mass type="decimal">387.1462027</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>CHEM198853</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-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(4-methylphenyl)methylamino]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">0</paper-count> <sync-id>CED0169716</sync-id> <structure-inchikey nil="true"/> <structure-fingerprint nil="true"/> <structure-pattern-fingerprint nil="true"/> <structure-pickle nil="true"/> <structure-indexed-at nil="true"/> </compound>