286651 <common-name>13-ethylsulfanyl-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3088111</pubchem-id> <chemical-formula>C13H10N4OS2</chemical-formula> <weight>302.4</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">2026-08-27T22:54:57Z</created-at> <updated-at type="dateTime">2026-08-27T22:54:57Z</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>CCSC1=NN2C(=O)C3=C(C4=CC=CC=C4N3)N=C2S1</moldb-smiles> <moldb-formula>C13H10N4OS2</moldb-formula> <moldb-inchi>InChI=1S/C13H10N4OS2/c1-2-19-13-16-17-11(18)10-9(15-12(17)20-13)7-5-3-4-6-8(7)14-10/h3-6,14H,2H2,1H3</moldb-inchi> <moldb-inchikey>WBYMQIINYSZIJD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">302.0296033</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM282544</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>13-ethylsulfanyl-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaen-10-one</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>Pyrrolopyrimidines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0238450</sync-id> <structure-inchikey>WBYMQIINYSZIJD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000800000000900000000002400000000000001000000000000000502000020000004000000002000000008000000000000000000000080000000000000000000000000000000000020000010000000000000000004000000000000000000000000000000000000000000000102000000000000010000000000000040000000c00000200000000000000000000104000000000200000000000010000080000000040000080000000000000400000000000000000000002000000000040000000000010000000000000000000000000800004200000001000000000000000001000040000000000400000000080000000000000080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������� �����@(������@(������@(������@(�������(������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@8�������@(������@(������@(�����������������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">2026-09-19T05:00:15Z</structure-indexed-at> </compound>