N2-(4-azanylcyclohexyl)-N6-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-9-cyclopentyl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[(4-chloro-2-fluoro-phenyl)methyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(4-chloro-2-fluorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(4-chloro-2-fluorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(4-chloro-2-fluoro-benzyl)amino]-9-cyclopentyl-purin-2-yl]amine Formula: C23H29ClFN7 MolecularWeight: 457.974663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=C(C=C(C=C4)Cl)F)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=C(C=C(C=C4)Cl)F)NC5CCC(CC5)N

InChI

InChI=1S/C23H29ClFN7/c24-15-6-5-14(19(25)11-15)12-27-21-20-22(32(13-28-20)18-3-1-2-4-18)31-23(30-21)29-17-9-7-16(26)8-10-17/h5-6,11,13,16-18H,1-4,7-10,12,26H2,(H2,27,29,30,31)