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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(2-methoxy-3-methyl-phenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2-methoxy-3-methyl-phenyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(2-methoxy-3-methylphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(2-methoxy-3-methylphenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(2-methoxy-3-methyl-benzyl)amino]purin-2-yl]amine Formula: C25H35N7O MolecularWeight: 449.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OC

Isomeric SMILES

CC1=C(C(=CC=C1)CNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OC

InChI

InChI=1S/C25H35N7O/c1-16-6-5-7-17(22(16)33-2)14-27-23-21-24(32(15-28-21)20-8-3-4-9-20)31-25(30-23)29-19-12-10-18(26)11-13-19/h5-7,15,18-20H,3-4,8-14,26H2,1-2H3,(H2,27,29,30,31)