EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:45197 - 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE

Default Structure
ChEBI IDCHEBI:45197
ChEBI Name8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H14FN5O2
Net Charge0
Average Mass303.297
Monoisotopic Mass303.11315
SMILES[H]c1c([H])c(OC([H])([H])[H])c(C([H])([H])c2nc3nc(F)nc(N([H])[H])c3n2[H])c([H])c1OC([H])([H])[H]
InChIInChI=1S/C14H14FN5O2/c1-21-8-3-4-9(22-2)7(5-8)6-10-17-11-12(16)19-14(15)20-13(11)18-10/h3-5H,6H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyMWHAHELTVGJGFJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE (CHEBI:45197) is a unclassifieds (CHEBI:27189)
Synonyms  Source
8-(2,5-dimethoxybenzyl)-2-fluoro-7H-purin-6-aminePDBeChem
8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINEPDBeChem
Manual XrefsDatabases
PU2PDBeChem