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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N2-[(1S,2R)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine
ChEBI ID CHEBI:95342
ChEBI ASCII Name N2-[(1S,2R)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H24ClN7
Net Charge 0
Average Mass 385.894
Monoisotopic Mass 385.17817
InChI InChI=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
InChIKey UTBSBSOBZHXMHI-CABCVRRESA-N
SMILES CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N[C@H]4CCCC[C@H]4N
ChEBI Ontology
Outgoing N2-[(1S,2R)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine (CHEBI:95342) is a 6-aminopurines (CHEBI:20706)
Synonym Source
CGP74514A ChEBI
Manual Xref Database
LSM-6711 LINCS
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Registry Number Type Source
24153154 Reaxys Registry Number Reaxys
Last Modified
25 February 2016