308421 <common-name>7-[2-(dimethylamino)ethyl]-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>208251</pubchem-id> <chemical-formula>C17H22N6O2</chemical-formula> <weight>342.4</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">2026-08-29T02:49:15Z</created-at> <updated-at type="dateTime">2026-08-29T02:49:15Z</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>CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC=C3)CCN(C)C</moldb-smiles> <moldb-formula>C17H22N6O2</moldb-formula> <moldb-inchi>InChI=1S/C17H22N6O2/c1-20(2)8-9-23-13(10-12-6-5-7-18-11-12)19-15-14(23)16(24)22(4)17(25)21(15)3/h5-7,11H,8-10H2,1-4H3</moldb-inchi> <moldb-inchikey>JIVUSALLSLGYNU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">342.180424</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</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>CHEM304314</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-(dimethylamino)ethyl]-1,3-dimethyl-8-(pyridin-3-ylmethyl)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>CED0259445</sync-id> <structure-inchikey>JIVUSALLSLGYNU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000008000000000022000000000000002000008000000004000000000000000480000000000000080000000000000000000428000200000400000000000000000010000000200000000000000008004000000000000100000000000000000000008000100040200000800000000000004000100000020000000000000000200000000000100000000000000000080000000000020080000000000000000000000100000000000020001000000000000000080000008000000000000220000000000000000000000001002049000000002000000001000000000000000000000000</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�B������������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:16:20Z</structure-indexed-at> </compound>