300785 <common-name>8-[(e)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-dimethyl-7h-purine-2,6-dione</common-name> <description>8-[(e)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-dimethyl-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 chemical formula C16H15BrN4O3 and an average molecular weight of 391.22 g/mol.</description> <cas>155271-50-4</cas> <pubchem-id>6448896</pubchem-id> <chemical-formula>C16H15BrN4O3</chemical-formula> <weight>391.22</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">2026-08-28T17:43:05Z</created-at> <updated-at type="dateTime">2026-08-28T17:43:05Z</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)NC(=N2)C=CC3=CC(=C(C=C3)OC)Br</moldb-smiles> <moldb-formula>C16H15BrN4O3</moldb-formula> <moldb-inchi>InChI=1S/C16H15BrN4O3/c1-20-14-13(15(22)21(2)16(20)23)18-12(19-14)7-5-9-4-6-11(24-3)10(17)8-9/h4-8H,1-3H3,(H,18,19)/b7-5+</moldb-inchi> <moldb-inchikey>HOKQBIATLCKFPM-FNORWQNLSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">390.03275</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM296678</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-bromo-4-methoxyphenyl)ethenyl]-1,3-dimethyl-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>CED0252044</sync-id> <structure-inchikey>HOKQBIATLCKFPM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000002200000000200000000000000000000000000000000000000400000000000000020000000000000002000008000000000000000000000000180000000000000080000800000000000000020000000002300000000800000000010000000000000005040000000100000000000000100008000000000000000008000000040000000000000204800004000000000000000000000000000200000100000000000000000000800080000000000000000000000000000000000002080000000000000000000000100000000000080008000000000004200000000000000000000000001000040000000000000000000000020000000004000004040</structure-fingerprint> 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