350674 <common-name>9-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3074873</pubchem-id> <chemical-formula>C30H33N7O3</chemical-formula> <weight>539.6</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">2026-08-31T15:53:18Z</created-at> <updated-at type="dateTime">2026-08-31T15:53:18Z</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)N3C=CC(=O)N(C3=N2)CCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6</moldb-smiles> <moldb-formula>C30H33N7O3</moldb-formula> <moldb-inchi>InChI=1S/C30H33N7O3/c1-32-27-26(28(39)33(2)30(32)40)37-17-14-24(38)36(29(37)31-27)16-9-15-34-18-20-35(21-19-34)25(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-14,17,25H,9,15-16,18-21H2,1-2H3</moldb-inchi> <moldb-inchikey>OSPSDMZDIBJPHJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">539.2644879</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>CHEM346567</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>9-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0347114</sync-id> </compound>