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CHEBI:112847 - 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione

ChEBI IDCHEBI:112847
ChEBI Name8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione
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DownloadsMolfile
FormulaC26H20FN5O6
Net Charge0
Average Mass517.473
Monoisotopic Mass517.13976
SMILESO=c1nc(=O)n(Cc2ccccc2)c2nc(-c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)n(CCO)c12
InChIInChI=1S/C26H20FN5O6/c27-18-7-9-19(10-8-18)38-21-11-6-17(14-20(21)32(36)37)23-28-24-22(30(23)12-13-33)25(34)29-26(35)31(24)15-16-4-2-1-3-5-16/h1-11,14,33H,12-13,15H2,(H,29,34,35)
InChIKeyKYFFKLBLUZKIOW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione (CHEBI:112847) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-24257LINCS