312752 <common-name>2-[4-[(e)-3-phenylprop-2-enyl]piperazin-1-yl]-7h-purine</common-name> <description>2-[4-[(e)-3-phenylprop-2-enyl]piperazin-1-yl]-7h-purine is a compound with the chemical formula C18H20N6. It has an average molecular weight of 320.40 g/mol.</description> <cas nil="true"/> <pubchem-id>6445574</pubchem-id> <chemical-formula>C18H20N6</chemical-formula> <weight>320.4</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">2026-08-29T09:26:34Z</created-at> <updated-at type="dateTime">2026-08-29T09:26:34Z</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>C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC=C4C(=N3)N=CN4</moldb-smiles> <moldb-formula>C18H20N6</moldb-formula> <moldb-inchi>InChI=1S/C18H20N6/c1-2-5-15(6-3-1)7-4-8-23-9-11-24(12-10-23)18-19-13-16-17(22-18)21-14-20-16/h1-7,13-14H,8-12H2,(H,19,20,21,22)/b7-4+</moldb-inchi> <moldb-inchikey>ZYCQXXHMBUGBBK-QPJJXVBHSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">320.1749447</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM308645</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>2-[4-[(e)-3-phenylprop-2-enyl]piperazin-1-yl]-7h-purine</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>CED0263679</sync-id> <structure-inchikey>ZYCQXXHMBUGBBK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20a000000001000000000000000000000000000000000000000000000000000000000000000020040001000000000000000020000000000000000000000000000000800000000000000000000002000040000000000000000000000200000030000000000a0000000000020100000000000002000000000000400000000000c00000200000000000000020000100000000000000800000000000000000000000480001080000000000020000080000008000010800000100000000800010000000000000000000080000000000000000000200000000010000000000000001000040000000000000000000000000000000000000804000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������`�������`������� ������`�������h��������h�������@(������@h�������@h�������@h�������@h�������@h�������@(������@(������@h�������@(������@(������@(������@(������@h�������@8������������������������������(�� h� �h���h�� h� �h��� ��h���h���h���h���h���h���h���h����� h���h���h�B������������ �� � �����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:39Z</structure-indexed-at> </compound>