307453 <common-name>7-[2-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione</common-name> <description>7-[2-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C17H19N5O4 and an average molecular weight of 357.40 g/mol. It is further classified as an organic oxygen compound and an organooxygen compound.</description> <cas>62402-11-3</cas> <pubchem-id>3046586</pubchem-id> <chemical-formula>C17H19N5O4</chemical-formula> <weight>357.4</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">2026-08-29T01:35:18Z</created-at> <updated-at type="dateTime">2026-08-29T01:35:18Z</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>CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(=O)C3=CC=C(C=C3)O</moldb-smiles> <moldb-formula>C17H19N5O4</moldb-formula> <moldb-inchi>InChI=1S/C17H19N5O4/c1-20-15-14(16(25)21(2)17(20)26)22(10-19-15)8-7-18-9-13(24)11-3-5-12(23)6-4-11/h3-6,10,18,23H,7-9H2,1-2H3</moldb-inchi> <moldb-inchikey>NKVPGMFFZODHFI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">357.1437041</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.1</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>CHEM303346</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>7-[2-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione</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>CED0258499</sync-id> <structure-inchikey>NKVPGMFFZODHFI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000080000000000000000000000000000000000000000000000000000000002000000000000000200000800000800000000000000000008000000000000008020000000000000000002000100000000000000000004000001000000001000000000000000000000000000000090000000000000000080000800000004000000000000000000000408000000000001000000000000020002000000010408000000000000108400000000000008809000000000010000000000000000000000000200020000000000000000004c000000000000200000020000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAHAAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEBkAoAAAAAwQGQCgAAAADBAgAKAAAAAMCB0AoAAAAAwMGQCgA AAADBAgAKAAAAAMCBgBgAAAAAQMHQCgAAAADAwZAaAAAAAMDAQdAKAAAAAMD BgBgAAAAAgIGAGAAAAACAgcAYAAAAAIBBgBgAAAAAgIGACgAAAADBAgAKAAA AAMCBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMD AQZAaAAAAAMDAQgAaAAAAAMBAQsAAQABAmgMAgNoDAMEaAwEBSgCBAZoDAYH aAwHCCgCBgkAAwpoDAoLaAwLDGgMCg0ADQ4ADg8ADxAAEBEAERIoAhETIBMU aAwUFWgMFRZoDBYXaAwXGGgMFhkgBwFoDAwCaAwYE2gMQgMAAAAGAQcGBAMC BQsKAwIMBhQVFhcYExcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:37Z</structure-indexed-at> </compound>