311396 <common-name>Prop-2-enyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,6-dihydro-2h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate</common-name> <description>Prop-2-enyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,6-dihydro-2h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is a chemical compound with the formula C18H17IN2O3S. It has an average molecular weight of 468.30 g/mol.</description> <cas>617697-13-9</cas> <pubchem-id>4583855</pubchem-id> <chemical-formula>C18H17IN2O3S</chemical-formula> <weight>468.3</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">2026-08-29T07:36:15Z</created-at> <updated-at type="dateTime">2026-08-29T07:36:15Z</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)CCSC2=N1)C3=CC=C(C=C3)I)C(=O)OCC=C</moldb-smiles> <moldb-formula>C18H17IN2O3S</moldb-formula> <moldb-inchi>InChI=1S/C18H17IN2O3S/c1-3-9-24-17(23)15-11(2)20-18-21(14(22)8-10-25-18)16(15)12-4-6-13(19)7-5-12/h3-7,16H,1,8-10H2,2H3</moldb-inchi> <moldb-inchikey>XJVSSAJLTIHQFZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">468.00046</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM307289</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>Prop-2-enyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,6-dihydro-2h-pyrimido[2,1-b][1,3]thiazine-7-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>Halobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0262353</sync-id> <structure-inchikey>XJVSSAJLTIHQFZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000c00000000000000050040000000000000000000000000000000000000020000000000000002000000000000000000000000000000100000000000000000000000000000000000020040010000300000000000000000000020402010000000000000000000000200000031108100000000000000000100000000040000000000000000000000000004000000000000000000000000001000000000040000000000200080000000010100000000000000102000000000010000400000400200000000020040000000000000000002000200200000020000010000200000000000040000000002420000000100000200000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������`�������(�������(�������(�������`�������`������� ������(�������(������@(������@h�������@h�������@(������@h�������@h������5� ������(�������(�������(�������`�������h��������h������������(��������� ��(�������� � � �(����� h� �h���h���h���h������ ��(��� ������������ � ��h�B������� ������� �� ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:18:35Z</structure-indexed-at> </compound>