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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(2,4-dimethoxyphenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2,4-dimethoxyphenyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2,4-dimethoxyphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(2,4-dimethoxyphenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(2,4-dimethoxybenzyl)amino]purin-2-yl]amine Formula: C25H35N7O2 MolecularWeight: 465.5911

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OC

InChI

InChI=1S/C25H35N7O2/c1-33-20-12-7-16(21(13-20)34-2)14-27-23-22-24(32(15-28-22)19-5-3-4-6-19)31-25(30-23)29-18-10-8-17(26)9-11-18/h7,12-13,15,17-19H,3-6,8-11,14,26H2,1-2H3,(H2,27,29,30,31)