281730 <common-name>8-butylsulfanyl-1,3-dimethyl-2-sulfanylidene-7h-purin-6-one</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>96973</pubchem-id> <chemical-formula>C11H16N4OS2</chemical-formula> <weight>284.4</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">2026-08-27T17:06:32Z</created-at> <updated-at type="dateTime">2026-08-27T17:06:32Z</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>CCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C</moldb-smiles> <moldb-formula>C11H16N4OS2</moldb-formula> <moldb-inchi>InChI=1S/C11H16N4OS2/c1-4-5-6-18-10-12-7-8(13-10)14(2)11(17)15(3)9(7)16/h4-6H2,1-3H3,(H,12,13)</moldb-inchi> <moldb-inchikey>NAOMXTHKMDASIF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">284.0765535</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</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>CHEM277623</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>8-butylsulfanyl-1,3-dimethyl-2-sulfanylidene-7h-purin-6-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>Imidazopyrimidines</klass> <subklass>Purines and purine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0233688</sync-id> <structure-inchikey>NAOMXTHKMDASIF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000800040010800000000000000000000000000000000000000000002000020000004000000003000000000000000000000000000000180000000040000080000010000000000000020000000002200000000000000000000000020000000000000000000000000000000000100000000000000000000000000000040000000000000200000004000000002000000000000000000000000000000020000000000000400080000000000000000000000000000000000002000000000000000000000000000000000000000208000040240004000080000000000000000000001000000000000010000000000000000200000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������� �����@(������@(������@(������@(������@8�������@(�������(������@(������@(�������(������@(�������`�������`�����������������������h���h���h�� h�� h� �(� �h�� h� �(� �h������� �h���h�B��������� � � �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:56:42Z</structure-indexed-at> </compound>