312473 <common-name>8-[benzyl(methyl)amino]-7-[(z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione</common-name> <description>8-[benzyl(methyl)amino]-7-[(z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione is a chemical compound with the formula C18H20ClN5O2. It has an average molecular weight of 373.80 g/mol.</description> <cas>332905-05-2</cas> <pubchem-id>6164889</pubchem-id> <chemical-formula>C18H20ClN5O2</chemical-formula> <weight>373.8</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">2026-08-29T08:56:54Z</created-at> <updated-at type="dateTime">2026-08-29T08:56:54Z</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>CC(=CCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C)Cl</moldb-smiles> <moldb-formula>C18H20ClN5O2</moldb-formula> <moldb-inchi>InChI=1S/C18H20ClN5O2/c1-12(19)9-10-24-14-15(23(3)18(26)21-16(14)25)20-17(24)22(2)11-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3,(H,21,25,26)/b12-9-</moldb-inchi> <moldb-inchikey>UYOVLKROODPSRT-XFXZXTDPSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">373.1305526</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM308366</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]-7-[(z)-3-chlorobut-2-enyl]-3-methylpurine-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>CED0263407</sync-id> <structure-inchikey>UYOVLKROODPSRT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000021000000000000002004000000000000000000000100000410000000000000080000000000000000000020000000000200000000000002020000000000210000000000000000004010008000010100000000000000000000400400000040200000800400200000005000100000000100000080000000000000000808000000000000000000080000000000002080000004002000010000000000000000000000000000200000000000000010008000000000004220000000000000000000000089000044000000000000000400000000000000000000000000</structure-fingerprint> 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