317110 <common-name>7-[(e)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2e)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione</common-name> <description>7-[(e)-3-chlorobut-2-enyl]-1,3-dimethyl-8-[(2e)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione is a chemical compound with the formula C19H20ClN7O4. It has an average molecular weight of 445.90 g/mol.</description> <cas>478253-45-1</cas> <pubchem-id>5520048</pubchem-id> <chemical-formula>C19H20ClN7O4</chemical-formula> <weight>445.9</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">2026-08-29T15:05:40Z</created-at> <updated-at type="dateTime">2026-08-29T15:05:40Z</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>CC(=CCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)N(C2=O)C)C)Cl</moldb-smiles> <moldb-formula>C19H20ClN7O4</moldb-formula> <moldb-inchi>InChI=1S/C19H20ClN7O4/c1-11(20)9-10-26-15-16(24(3)19(29)25(4)17(15)28)21-18(26)23-22-12(2)13-5-7-14(8-6-13)27(30)31/h5-9H,10H2,1-4H3,(H,21,23)/b11-9+,22-12+</moldb-inchi> <moldb-inchikey>XTGAXYHCCSTMOW-XRWVUWAWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">445.1265298</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM313003</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]-1,3-dimethyl-8-[(2e)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]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>CED0267938</sync-id> <structure-inchikey>XTGAXYHCCSTMOW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000004000000000000000000000000000000000040002000000000000800200000800000000000000000010000048000000000000008000000000000000000002000000000020800100400000040005000000021000000020000000000001000800000010800000004000000000040800000004000000000000000000000408000000000100000000000000020002000080010000000000000000008400000000000208000000000000001000000000000000000000000000000000020000000001000c000000000000210000010000000420000000001000041000000000000000400001000008000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€���`�������(�������h��������`������@(������@(������@(������@(������@(�������h��������(�������(�������`������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ���@(������@(�������(������@(������@(�������(�������`�������`������� ��������������������h���h���h���h�� �(����� �h���h���h���h���h��� ��(��� ��h���h���(���h���h���(������������h���h�� h�B���������������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:23:02Z</structure-indexed-at> </compound>