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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione
ChEBI ID CHEBI:112847
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H20FN5O6
Net Charge 0
Average Mass 517.466
Monoisotopic Mass 517.13976
InChI InChI=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)
InChIKey KYFFKLBLUZKIOW-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4=CC(=C(C=C4)OC5=CC=C(C=C5)F)[N+](=O)[O-])CCO
ChEBI Ontology
Outgoing 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione (CHEBI:112847) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-24257 LINCS
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