N2-(4-azanylcyclohexyl)-N6-[(4-chlorophenyl)methyl]-9-cyclopentyl-purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(4-chlorophenyl)methyl]-9-cyclopentyl-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-[(4-chlorophenyl)methyl]-9-cyclopentyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-[(4-chlorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(4-chlorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-[(4-chlorobenzyl)amino]-9-cyclopentyl-purin-2-yl]amine dihydrochloride Formula: C23H32Cl3N7 MolecularWeight: 512.90608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN7.2ClH/c24-16-7-5-15(6-8-16)13-26-21-20-22(31(14-27-20)19-3-1-2-4-19)30-23(29-21)28-18-11-9-17(25)10-12-18;;/h5-8,14,17-19H,1-4,9-13,25H2,(H2,26,28,29,30);2*1H