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CHEBI:29022 - N-benzyladenine

ChEBI IDCHEBI:29022
ChEBI NameN-benzyladenine
Stars
ASCII NameN-benzyladenine
DefinitionA member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group.
Secondary ChEBI IDsCHEBI:2173, CHEBI:21881, CHEBI:42414
Last Modified25 February 2016
DownloadsMolfile

FormulaC12H11N5
Net Charge0
Average Mass225.255
Monoisotopic Mass225.10145
SMILESc1ccc(CNc2ncnc3ncnc23)cc1
InChIInChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
InChIKeyNWBJYWHLCVSVIJ-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
N-benzyl-9H-purin-6-amine
Synonyms  Source
6-BenzylaminopurineKEGG COMPOUND
N-BenzyladenineKEGG COMPOUND
N6-BenzyladenineKEGG COMPOUND
N-BENZYL-9H-PURIN-6-AMINEPDBeChem
benzyladenineChemIDplus
6-(benzylamino)purineNIST Chemistry WebBook
Manual XrefsDatabases
C11263KEGG COMPOUND
EMUPDBeChem
CPD-4604MetaCyc
6-BenzylaminopurineWikipedia
HMDB0039238HMDB
C00000092KNApSAcK
LSM-3396LINCS
1324BPDB
Registry NumbersSources
Gmelin:145502Gmelin
Reaxys:616790Reaxys
CAS:1214-39-7KEGG COMPOUND
CAS:1214-39-7NIST Chemistry WebBook
CAS:1214-39-7ChemIDplus
Citations