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CHEBI:45211 - 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE

Default Structure
ChEBI IDCHEBI:45211
ChEBI Name8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC17H18FN5O2
Net Charge0
Average Mass343.362
Monoisotopic Mass343.14445
SMILES[H]c1c([H])c(C([H])([H])c2nc3c(N([H])[H])nc(F)nc3n2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c2c1OC([H])([H])O2
InChIInChI=1S/C17H18FN5O2/c1-2-3-6-23-13(20-14-15(19)21-17(18)22-16(14)23)8-10-4-5-11-12(7-10)25-9-24-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,19,21,22)
InChIKeyARWHTQLGMWHTAZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE (CHEBI:45211) is a unclassifieds (CHEBI:27189)
Synonyms  Source
8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H-purin-6-aminePDBeChem
8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINEPDBeChem
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