283706 <common-name>5-[(3-methoxyanilino)methyl]-2-sulfanylidene-1h-pyrimidin-4-one</common-name> <description>5-[(3-methoxyanilino)methyl]-2-sulfanylidene-1h-pyrimidin-4-one belongs to the aminophenyl ethers, a subclass of phenol ethers within the organic compounds. This benzenoid compound has the chemical formula C12H13N3O2S and an average molecular weight of 263.32 g/mol.</description> <cas>89665-67-8</cas> <pubchem-id>3021526</pubchem-id> <chemical-formula>C12H13N3O2S</chemical-formula> <weight>263.32</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">2026-08-27T19:16:26Z</created-at> <updated-at type="dateTime">2026-08-27T19:16:26Z</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>COC1=CC=CC(=C1)NCC2=CNC(=S)NC2=O</moldb-smiles> <moldb-formula>C12H13N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C12H13N3O2S/c1-17-10-4-2-3-9(5-10)13-6-8-7-14-12(18)15-11(8)16/h2-5,7,13H,6H2,1H3,(H2,14,15,16,18)</moldb-inchi> <moldb-inchikey>PFPPSXDTTCAQQG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">263.0728478</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</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>CHEM279599</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>5-[(3-methoxyanilino)methyl]-2-sulfanylidene-1h-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>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass>Aminophenyl ethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0235612</sync-id> <structure-inchikey>PFPPSXDTTCAQQG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000810040000000000000000000000100000000000000010000000000000020200000000008000000000000000000000000000000000000000000000000200000000000000000000020000000000101000000000002000000040000020000000040000000100000000000000000000000000000000000000001000040000000800000200000000080000000000004000000000000000000000000000000000004001000080000002080000000000000004000000000000080000000000000000000000000000000000000000000040000004200000000000000000000000000000045000100000000000000000008000000000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQG QGgAAAADAwEHAGgAAAADAgEGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBB0A4 AAAAAwEDBkAoAAAAAwQQACgAAAADAgdAOAAAAAMBAwZAKAAAAAMECAAoAAAA AwILAAEAAQIgAgNoDAMEaAwEBWgMBQZoDAYHaAwGCCAICQAJCgAKC2gMCwxo DAwNaAwNDigCDQ9oDA8QaAwQESgCBwJoDBAKaAxCAgAAAAYCBwYFBAMGCwwN DxAKFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:12Z</structure-indexed-at> </compound>