331000 <common-name>7-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione</common-name> <description>7-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione is a chemical compound with the formula C22H22ClN5O2. It has an average molecular weight of 423.90 g/mol.</description> <cas>110622-80-5</cas> <pubchem-id>3066599</pubchem-id> <chemical-formula>C22H22ClN5O2</chemical-formula> <weight>423.9</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">2026-08-30T11:42:42Z</created-at> <updated-at type="dateTime">2026-08-30T11:42:42Z</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)N(C=N2)CCNC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl</moldb-smiles> <moldb-formula>C22H22ClN5O2</moldb-formula> <moldb-inchi>InChI=1S/C22H22ClN5O2/c1-26-20-19(21(29)27(2)22(26)30)28(14-25-20)13-12-24-18(15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-11,14,18,24H,12-13H2,1-2H3</moldb-inchi> <moldb-inchikey>IVDTZQIYKSKGPZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">423.1462027</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM326893</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-[2-[[(4-chlorophenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Diphenylmethanes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281541</sync-id> <structure-inchikey>IVDTZQIYKSKGPZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000400000000000800000000000000000000000000000000080000000000000000000000020000000000000002004008000000000000000000000000080000000000000480200000000000000000020001000000000000000000000000010020000000080000000000000000000000000000900000000000000000000008000000040020040800000000000004080000000008110000000000000200020000000100000000000000401080200000000000088090000000000000000000000000000000400000000000000000000000010008000000000000200000000000000000000000005000040000800000000000000000000000000000000000000</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���h���h������h���h���h���h���h������h���h���h���h�B������������� ���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:25Z</structure-indexed-at> </compound>