<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">330681</id>
  <title nil="true"/>
  <common-name>Methyl (2e)-5-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate</common-name>
  <description>Methyl (2e)-5-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is a chemical compound with the formula C22H20N2O6S. It has an average molecular weight of 440.50 g/mol.</description>
  <cas>331454-82-1</cas>
  <pubchem-id>5766136</pubchem-id>
  <chemical-formula>C22H20N2O6S</chemical-formula>
  <weight>440.5</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">2026-08-30T11:20:21Z</created-at>
  <updated-at type="dateTime">2026-08-30T11:20:21Z</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>CC1=C(C(N2C(=O)C(=CC3=CC=CO3)SC2=N1)C4=CC(=C(C=C4)OC)OC)C(=O)OC</moldb-smiles>
  <moldb-formula>C22H20N2O6S</moldb-formula>
  <moldb-inchi>InChI=1S/C22H20N2O6S/c1-12-18(21(26)29-4)19(13-7-8-15(27-2)16(10-13)28-3)24-20(25)17(31-22(24)23-12)11-14-6-5-9-30-14/h5-11,19H,1-4H3/b17-11+</moldb-inchi>
  <moldb-inchikey>IXRYBXCSVHORIN-GZTJUZNOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">440.1042075</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.1</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>CHEM326574</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>Methyl (2e)-5-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-7-methyl-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Methoxybenzenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0281227</sync-id>
  <structure-inchikey>IXRYBXCSVHORIN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000004000840002000000000000000100000400000004000000020000000000000002000000000000000000000012000000080000000000000000000000000000000000020880010000300000000000000000000001000010000000048000000100000002000010100000000000000000000100000000040000000800000000000280080014000200000080000400400000801000000000000000000000000080000000000100000000000000100000080000080000000000400000000000000000000000000000000002000000200000000006810000000000000000040000000000402000000000020000000000003000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������"���€���`�������(�������(�������`������@(������@(�������(������@(�������h�������@(������@h�������@h�������@h�������@(������@(������@(�������(������@(������@h�������@(������@(������@h�������@h��������(�������`�������(�������`�������(�������(�������(�������`�����������(���������h���(���h���(��	 	
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	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:33:10Z</structure-indexed-at>
</compound>
