311612 <common-name>7-[(e)-3-chlorobut-2-enyl]-8-[(2e)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione</common-name> <description>7-[(e)-3-chlorobut-2-enyl]-8-[(2e)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione is a chemical compound with the formula C18H18Cl2N6O2. It has an average molecular weight of 421.30 g/mol.</description> <cas>478253-53-1</cas> <pubchem-id>9637458</pubchem-id> <chemical-formula>C18H18Cl2N6O2</chemical-formula> <weight>421.3</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">2026-08-29T07:54:51Z</created-at> <updated-at type="dateTime">2026-08-29T07:54:51Z</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>CC(=CCN1C2=C(N=C1NN=CC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C)Cl</moldb-smiles> <moldb-formula>C18H18Cl2N6O2</moldb-formula> <moldb-inchi>InChI=1S/C18H18Cl2N6O2/c1-11(19)8-9-26-14-15(24(2)18(28)25(3)16(14)27)22-17(26)23-21-10-12-6-4-5-7-13(12)20/h4-8,10H,9H2,1-3H3,(H,22,23)/b11-8+,21-10+</moldb-inchi> <moldb-inchikey>GUTLGYVTAHBOFQ-WRNZLZEGSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">420.0868292</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM307505</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-[(e)-3-chlorobut-2-enyl]-8-[(2e)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-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>CED0262563</sync-id> <structure-inchikey>GUTLGYVTAHBOFQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000040000000000400000000000000000000000400020000000000002002000008000000000400000000100000480000000000000480000000000000000000020000000000200000004000000000010000000210000000000000080000010008000000100000040060000000000408000000040000000800000000000004080000000021100000000000000200000000800100000000000000000080000000000002081010000000000010000000000000000000000000000000000200000000010008000000000000200000010000000000000000001001041000000000000000400000000000000000000000000</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���(������������h���h���h�B����������� ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:18:44Z</structure-indexed-at> </compound>