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CHEBI:95342 - N2-[(1S,2R)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine

Default Structure
ChEBI IDCHEBI:95342
ChEBI NameN2-[(1S,2R)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine
Stars
ASCII NameN2-[(1S,2R)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine
Last Modified25 February 2016
DownloadsMolfile
FormulaC19H24ClN7
Net Charge0
Average Mass385.903
Monoisotopic Mass385.17817
SMILESCCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc21
InChIInChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m1/s1
InChIKeyUTBSBSOBZHXMHI-CABCVRRESA-N
ChEBI Ontology
Outgoing Relation(s)
N2-[(1S,2R)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine (CHEBI:95342) is a 6-aminopurines (CHEBI:20706)
Synonym  Source
CGP74514AChEBI
Manual XrefsDatabases
LSM-6711LINCS
Registry NumbersSources
Reaxys:24153154Reaxys