N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3-iodanylphenyl)methyl]purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3-iodanylphenyl)methyl]purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3-iodophenyl)methyl]purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3-iodophenyl)methyl]purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(3-iodophenyl)methyl]purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(3-iodobenzyl)amino]purin-2-yl]amine dihydrochloride Formula: C23H32Cl2IN7 MolecularWeight: 604.35755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30IN7.2ClH/c24-16-5-3-4-15(12-16)13-26-21-20-22(31(14-27-20)19-6-1-2-7-19)30-23(29-21)28-18-10-8-17(25)9-11-18;;/h3-5,12,14,17-19H,1-2,6-11,13,25H2,(H2,26,28,29,30);2*1H