333155 <common-name>1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3071342</pubchem-id> <chemical-formula>C22H30N6O3</chemical-formula> <weight>426.5</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">2026-08-30T14:25:33Z</created-at> <updated-at type="dateTime">2026-08-30T14:25:33Z</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>CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3CCN(CC3)C4=CC=CC=C4OC</moldb-smiles> <moldb-formula>C22H30N6O3</moldb-formula> <moldb-inchi>InChI=1S/C22H30N6O3/c1-24-16-23-20-19(24)21(29)28(22(30)25(20)2)11-7-6-10-26-12-14-27(15-13-26)17-8-4-5-9-18(17)31-3/h4-5,8-9,16H,6-7,10-15H2,1-3H3</moldb-inchi> <moldb-inchikey>SXARLBUCIGRKIU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">426.2379388</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM329048</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>1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-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>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0283640</sync-id> <structure-inchikey>SXARLBUCIGRKIU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000002080000000000000000000000000000000000001000040000000000000002000000000000000200000010000000000000100000000008000000000000008000000000000000000002400000000010000000000000000001000000020000000004000000000000400000002090000000000000000000000800000004000000080000000000000400000000000011002000000000000000000010000000000000020000008000000600000008008000000a000000804000084000000000000000000080000010000000000008000000000000200000000010008000000000000000040000000012000001000000020000000000000000000</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">2026-09-19T05:35:19Z</structure-indexed-at> </compound>