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  <title nil="true"/>
  <common-name>13-methylsulfanyl-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one</common-name>
  <description>13-methylsulfanyl-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one belongs to the thienopyrimidines, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C12H11N3OS3 and an average molecular weight of 309.40 g/mol.</description>
  <cas>88753-93-9</cas>
  <pubchem-id>24835490</pubchem-id>
  <chemical-formula>C12H11N3OS3</chemical-formula>
  <weight>309.4</weight>
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  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
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  <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">2026-08-27T18:48:46Z</created-at>
  <updated-at type="dateTime">2026-08-27T18:48:46Z</updated-at>
  <interacting-proteins nil="true"/>
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  <uniprot-id nil="true"/>
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  <moldb-smiles>CSC1=NN2C(=O)C3=C(N=C2S1)SC4=C3CCCC4</moldb-smiles>
  <moldb-formula>C12H11N3OS3</moldb-formula>
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  <state nil="true"/>
  <logp>3.8</logp>
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  <synthesis-reference nil="true"/>
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  <chemdb-id>CHEM279134</chemdb-id>
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  <toxcast-id nil="true"/>
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  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>13-methylsulfanyl-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one</iupac>
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  <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>Thienopyrimidines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0235159</sync-id>
  <structure-inchikey>MSDOAUVVQDBBAV-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:57:50Z</structure-indexed-at>
</compound>
