307311 <common-name>7-[(4-chlorophenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione</common-name> <description>7-[(4-chlorophenyl)methyl]-1-methyl-3-(2-methylpropyl)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 C17H19ClN4O2 and an average molecular weight of 346.80 g/mol.</description> <cas>58481-29-1</cas> <pubchem-id>3041754</pubchem-id> <chemical-formula>C17H19ClN4O2</chemical-formula> <weight>346.8</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">2026-08-29T01:23:15Z</created-at> <updated-at type="dateTime">2026-08-29T01:23:15Z</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(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)Cl</moldb-smiles> <moldb-formula>C17H19ClN4O2</moldb-formula> <moldb-inchi>InChI=1S/C17H19ClN4O2/c1-11(2)8-22-15-14(16(23)20(3)17(22)24)21(10-19-15)9-12-4-6-13(18)7-5-12/h4-7,10-11H,8-9H2,1-3H3</moldb-inchi> <moldb-inchikey>KDUYSPNLZTVJTB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">346.1196536</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>CHEM303204</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-[(4-chlorophenyl)methyl]-1-methyl-3-(2-methylpropyl)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>CED0258360</sync-id> <structure-inchikey>KDUYSPNLZTVJTB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000080000000000000001000000220000400000000002000000000000000000000000000000080000000000000480000000000000000000020000000000000000000000000000010000000200080000000000000000180000000000900000000000000000000000000000040020000000000000000004000000000000010020000000000200000000000100000000000000001080000000000000088090000010000000000000010000000000000000000000000000000000010008000000000000220040000000000000000000100000040000000000020000000000000000000000010000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������@(������@(������@(������@(�������(������@(������@(�������(�������`������@(������@h�������@(�������`������@(������@h�������@h�������@(������@h�������@h�������� �������������������h���h���h���(�� h� h� �(� ��� h� �h���h� �������h���h���h���h���h���� �h���h���h�B������ ����� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:32Z</structure-indexed-at> </compound>