N2-[(1S,3R)-3-azanylcyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine

Systemtic Name: N2-[(1S,3R)-3-azanylcyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine Openeye Name: N2-[(1S,3R)-3-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine CAS Name: N2-[(1S,3R)-3-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethylpurine-2,6-diamine IUPAC Name: 2-N-[(1S,3R)-3-aminocyclohexyl]-6-N-(3-chlorophenyl)-9-ethylpurine-2,6-diamine Traditional Name: [(1S,3R)-3-aminocyclohexyl]-[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amine Formula: C19H24ClN7 MolecularWeight: 385.89376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)NC4CCCC(C4)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N[C@H]4CCC[C@H](C4)N

InChI

InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-14-7-3-5-12(20)9-14)25-19(26-18(16)27)24-15-8-4-6-13(21)10-15/h3,5,7,9,11,13,15H,2,4,6,8,10,21H2,1H3,(H2,23,24,25,26)/t13-,15+/m1/s1