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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(2-methoxyphenyl)methyl]purine-2,6-diamine hydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2-methoxyphenyl)methyl]purine-2,6-diamine hydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2-methoxyphenyl)methyl]purine-2,6-diamine hydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(2-methoxyphenyl)methyl]purine-2,6-diamine hydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(o-anisylamino)purin-2-yl]amine hydrochloride Formula: C24H34ClN7O MolecularWeight: 472.02606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl

Isomeric SMILES

COC1=CC=CC=C1CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl

InChI

InChI=1S/C24H33N7O.ClH/c1-32-20-9-5-2-6-16(20)14-26-22-21-23(31(15-27-21)19-7-3-4-8-19)30-24(29-22)28-18-12-10-17(25)11-13-18;/h2,5-6,9,15,17-19H,3-4,7-8,10-14,25H2,1H3,(H2,26,28,29,30);1H