288719 <common-name>7-(2-imino-2-morpholin-4-ylethyl)-1,3-dimethylpurine-2,6-dione</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>627828</pubchem-id> <chemical-formula>C13H18N6O3</chemical-formula> <weight>306.32</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">2026-08-28T01:50:50Z</created-at> <updated-at type="dateTime">2026-08-28T01:50:50Z</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)CC(=N)N3CCOCC3</moldb-smiles> <moldb-formula>C13H18N6O3</moldb-formula> <moldb-inchi>InChI=1S/C13H18N6O3/c1-16-11-10(12(20)17(2)13(16)21)19(8-15-11)7-9(14)18-3-5-22-6-4-18/h8,14H,3-7H2,1-2H3</moldb-inchi> <moldb-inchikey>CCGDULDZIADYET-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">306.1440385</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.1</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>CHEM284612</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-imino-2-morpholin-4-ylethyl)-1,3-dimethylpurine-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>CED0240447</sync-id> <structure-inchikey>CCGDULDZIADYET-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000004000000008008000000000000000000000000000000000000000000000000000000000200000000000000020000080000000000000000000000000800010000000000800000000400001000000208000000000000000000004000000100000000100000000000000000000000000080209000200000000000000000080000000400000000000800000000040000000000000108000000000002000000000001080000000000000010800000400000000c8090000008000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000040000000000000000000000000000000004000000000</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����B������������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:51Z</structure-indexed-at> </compound>