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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(4-chlorophenyl)-cyclopropyl-methyl]-9-cyclopentyl-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-[(4-chlorophenyl)-cyclopropyl-methyl]-9-cyclopentyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-[(4-chlorophenyl)-cyclopropylmethyl]-9-cyclopentylpurine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(4-chlorophenyl)-cyclopropylmethyl]-9-cyclopentylpurine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-[[(4-chlorophenyl)-cyclopropyl-methyl]amino]-9-cyclopentyl-purin-2-yl]amine dihydrochloride Formula: C26H36Cl3N7 MolecularWeight: 552.96994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC(C4CC4)C5=CC=C(C=C5)Cl)NC6CCC(CC6)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC(C4CC4)C5=CC=C(C=C5)Cl)NC6CCC(CC6)N.Cl.Cl

InChI

InChI=1S/C26H34ClN7.2ClH/c27-18-9-7-17(8-10-18)22(16-5-6-16)31-24-23-25(34(15-29-23)21-3-1-2-4-21)33-26(32-24)30-20-13-11-19(28)12-14-20;;/h7-10,15-16,19-22H,1-6,11-14,28H2,(H2,30,31,32,33);2*1H