322740 <common-name>6-butyl-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione</common-name> <description>6-butyl-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione is a chemical compound with the formula C20H23N5O3. It has an average molecular weight of 381.40 g/mol.</description> <cas>96885-65-3</cas> <pubchem-id>3759838</pubchem-id> <chemical-formula>C20H23N5O3</chemical-formula> <weight>381.4</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">2026-08-29T23:03:52Z</created-at> <updated-at type="dateTime">2026-08-29T23:03:52Z</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>CCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)OC</moldb-smiles> <moldb-formula>C20H23N5O3</moldb-formula> <moldb-inchi>InChI=1S/C20H23N5O3/c1-5-6-11-24-15(13-7-9-14(28-4)10-8-13)12-25-16-17(21-19(24)25)22(2)20(27)23(3)18(16)26/h7-10,12H,5-6,11H2,1-4H3</moldb-inchi> <moldb-inchikey>AEARQJCHWZHBBF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">381.1800896</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM318633</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>6-butyl-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-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>CED0273442</sync-id> <structure-inchikey>AEARQJCHWZHBBF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000040000000000000200000000000000000000000000000000200002020000000000000200000c000000000000000800000000480000000000000080000010000000000000020000000000100000200000000000010040020200000010040000000000000800000000120002000000000000000008000000040000000000000000000004000800000000000000000000000200000000000100000000000000000080004000000000082000000000000000000000080000000000000000000080000000000000000088000400000000200000000000000000000000001000040200000010000000000000040000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>7036c000857286c081485b648168b80111901402951d201080376840822049cc543220111b8001800148411804e00111056002a4508c320100aee579c0a1c100c7110c881290560800901040127202004c4485f157217f3b43140d625022d9040e6c052f084ca20060438498dd940241208680708119c44411182c7002510102146c00094ef8860808061a70ce2c0308391e8a9244401f8a54201d2860c000ac90d3101291b2d20202020968c17c25100ac00002a941084018a06a102cc00613a92050ac04900f37d9810482543102c80d412810034450208d4022042a00030091306910088d022501000413d112a0820c51063090c6040e1100100072000842</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��� �����h���h�� h���h�B����������� ��� ����� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:27:11Z</structure-indexed-at> </compound>