326733 <common-name>3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one</common-name> <description>3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a chemical compound with the formula C21H22N2O3S2. It has an average molecular weight of 414.50 g/mol.</description> <cas>618427-85-3</cas> <pubchem-id>1891848</pubchem-id> <chemical-formula>C21H22N2O3S2</chemical-formula> <weight>414.5</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">2026-08-30T05:14:32Z</created-at> <updated-at type="dateTime">2026-08-30T05:14:32Z</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>CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)OC)SC4=C2CCCC4</moldb-smiles> <moldb-formula>C21H22N2O3S2</moldb-formula> <moldb-inchi>InChI=1S/C21H22N2O3S2/c1-3-23-20(25)18-15-6-4-5-7-17(15)28-19(18)22-21(23)27-12-16(24)13-8-10-14(26-2)11-9-13/h8-11H,3-7,12H2,1-2H3</moldb-inchi> <moldb-inchikey>ZNJQUZMZXPKZBR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">414.1071849</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM322626</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>3-ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0277350</sync-id> <structure-inchikey>ZNJQUZMZXPKZBR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>242000000000800000000800000000002000000000000008000000000000000002000220200004000040002080000000001000000000000000000081000000000000000000000000000000000020000050000100000200000010000000040000210000010040200400000002000000020100000000000000040000000800000040000000000000000000000000000000000000000000000000000000000000000000000000000000084140000000020000000000000000000000000080000000000000000000200000000100000000044000100000200200000000000000004000000001000040000000000400000000010000008000000000000000</structure-fingerprint> 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