288059 <common-name>1,3-dimethyl-7-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>11971034</pubchem-id> <chemical-formula>C13H16N6O3</chemical-formula> <weight>304.3</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">2026-08-28T00:48:40Z</created-at> <updated-at type="dateTime">2026-08-28T00:48:40Z</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>CCCC1=NC(=NO1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C</moldb-smiles> <moldb-formula>C13H16N6O3</moldb-formula> <moldb-inchi>InChI=1S/C13H16N6O3/c1-4-5-9-15-8(16-22-9)6-19-7-14-11-10(19)12(20)18(3)13(21)17(11)2/h7H,4-6H2,1-3H3</moldb-inchi> <moldb-inchikey>VYZDCCMTUGQZKB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">304.1283884</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.6</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>CHEM283952</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>1,3-dimethyl-7-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]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>CED0239826</sync-id> <structure-inchikey>VYZDCCMTUGQZKB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000800000000000000000000000000000000000000000800000000002000020000000000000002000008000000000000000000000000080000000000000080000000000040000000020800000000000000000000000080010000020000000000100000000001080000004000900000020000000000000008000000040000000000000000000004000000000000010000000001000200000000000100000000000000001080000800000000088090000000000000000000002000000000000000000002000000000000000008020000200000000040000000000000000000001000040000000000000000000000000000000000000000000</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�B����������� �������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:13Z</structure-indexed-at> </compound>