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CHEBI:748866 - 6-o-benzylguanine

Default Structure
ChEBI IDCHEBI:748866
ChEBI Name6-o-benzylguanine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC12H11N5O
Net Charge0
Average Mass241.254
Monoisotopic Mass241.09636
SMILESNc1nc(OCc2ccccc2)c2ncnc2n1
InChIInChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKeyKRWMERLEINMZFT-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
6-o-benzylguanine (CHEBI:748866) has role antineoplastic agent (CHEBI:35610)
6-o-benzylguanine (CHEBI:748866) is a purines (CHEBI:26401)
Synonyms  Source
6-o-benzylguanineChEMBL
NSC-637037ChEMBL
O6-benzylguanineChEMBL
O(6)-benzylguanineChEMBL
Citations