338855 <common-name>Ethyl 2-(9-methyl-6,8-dioxo-1,3-diphenyl-4h-purino[8,7-c][1,2,4]triazin-7-yl)acetate</common-name> <description>Ethyl 2-(9-methyl-6,8-dioxo-1,3-diphenyl-4h-purino[8,7-c][1,2,4]triazin-7-yl)acetate is a chemical compound with the formula C24H22N6O4. It has an average molecular weight of 458.50 g/mol.</description> <cas>105774-56-9</cas> <pubchem-id>3064808</pubchem-id> <chemical-formula>C24H22N6O4</chemical-formula> <weight>458.5</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">2026-08-30T22:00:58Z</created-at> <updated-at type="dateTime">2026-08-30T22:00:58Z</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>CCOC(=O)CN1C(=O)C2=C(N=C3N2CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5)N(C1=O)C</moldb-smiles> <moldb-formula>C24H22N6O4</moldb-formula> <moldb-inchi>InChI=1S/C24H22N6O4/c1-3-34-19(31)15-29-22(32)20-21(27(2)24(29)33)25-23-28(20)14-18(16-10-6-4-7-11-16)26-30(23)17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3</moldb-inchi> <moldb-inchikey>VTRHKPCBBMLRMB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">458.1702532</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM334748</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>Ethyl 2-(9-methyl-6,8-dioxo-1,3-diphenyl-4h-purino[8,7-c][1,2,4]triazin-7-yl)acetate</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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0289281</sync-id> <structure-inchikey>VTRHKPCBBMLRMB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000800000000000000010000040000100000000001000000000000002000020000000000000002004000000000000000000000100000480000000000000080000000000000000000020000000000100000000008000000010000000210000000000004000000000000000020100000000200001000000008000004040000000800000000000004000810000000100020800020000000000000000028000000000000400082000000000000080000000000000800000000044000000000000000000000000000000000040008000002000000200000008000000001040000001000040000000000400000020400000000000000000004000</structure-fingerprint> 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