306611 <common-name>8-[(e)-2-(3-chlorophenyl)ethenyl]-1,3-diethyl-7h-purine-2,6-dione</common-name> <description>8-[(e)-2-(3-chlorophenyl)ethenyl]-1,3-diethyl-7h-purine-2,6-dione belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This organoheterocyclic compound has the formula C17H17ClN4O2 and an average molecular weight of 344.80 g/mol.</description> <cas>155271-62-8</cas> <pubchem-id>6448908</pubchem-id> <chemical-formula>C17H17ClN4O2</chemical-formula> <weight>344.8</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">2026-08-29T00:25:19Z</created-at> <updated-at type="dateTime">2026-08-29T00:25:19Z</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>CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=CC(=CC=C3)Cl</moldb-smiles> <moldb-formula>C17H17ClN4O2</moldb-formula> <moldb-inchi>InChI=1S/C17H17ClN4O2/c1-3-21-15-14(16(23)22(4-2)17(21)24)19-13(20-15)9-8-11-6-5-7-12(18)10-11/h5-10H,3-4H2,1-2H3,(H,19,20)/b9-8+</moldb-inchi> <moldb-inchikey>XRHGUKRFVFFMOA-CMDGGOBGSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">344.1040035</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM302504</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-[(e)-2-(3-chlorophenyl)ethenyl]-1,3-diethyl-7h-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>CED0257668</sync-id> <structure-inchikey>XRHGUKRFVFFMOA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000800000000000000000000400000000000080000000000000000002000020000000000080002000000000000000000000000000000080000000000000400100808000000000000020000000002200000000000000000018000000200000001000200000100000000000000100008000000000000000000001000040000000800000200800000000000040000000000000000000000000100000000000000000400800080000000000000000000000000040000000002000000000000000000000000000000000000090008000000000004200000000000000000000000001000040000000000000000000000000000000000000004040</structure-fingerprint> 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