<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344510</id>
  <title nil="true"/>
  <common-name>(5z)-3-benzyl-5-[[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one</common-name>
  <description>(5z)-3-benzyl-5-[[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a chemical compound with the formula C26H26N4O2S2. It has an average molecular weight of 490.60 g/mol.</description>
  <cas>361994-62-9</cas>
  <pubchem-id>1536118</pubchem-id>
  <chemical-formula>C26H26N4O2S2</chemical-formula>
  <weight>490.6</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">2026-08-31T06:29:06Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:29:06Z</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>CC1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)C=C4C(=O)N(C(=S)S4)CC5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C26H26N4O2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H26N4O2S2/c1-17-10-13-28(14-11-17)23-20(24(31)29-12-6-7-18(2)22(29)27-23)15-21-25(32)30(26(33)34-21)16-19-8-4-3-5-9-19/h3-9,12,15,17H,10-11,13-14,16H2,1-2H3/b21-15-</moldb-inchi>
  <moldb-inchikey>MITDRDNQSXFYGC-QNGOZBTKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">490.1497184</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</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>CHEM340403</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>(5z)-3-benzyl-5-[[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-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>Pyridopyrimidines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294879</sync-id>
  <structure-inchikey>MITDRDNQSXFYGC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000808140000000200000000000000000000100000000000000404000000020000100020000002004000100000000000000001000000080000000000000000010080080000000000020000010000200000000000000000000000000000000000000000100010000000000020100500000040000000000100000000040200000800400000000000800000000000100000000000000000000000000040004000020000000080100000000000020000000808000000200000000000000000000000001000000000000000010008000042000000220040000001000000000000001200040000000800000000400000040000001000000000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������"���&amp;���€���`�������`�������`�������`�������(�������`�������`������@(������@(������@(�������(������@(������@h�������@h�������@h�������@(������@(������@(�������`�������h��������(�������(�������(�������(�������(�������(������� ������`������@(������@h�������@h�������@h�������@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">2026-09-19T05:43:49Z</structure-indexed-at>
</compound>
