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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[cyclopropyl-(4-methylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[cyclopropyl(p-tolyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[cyclopropyl-(4-methylphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[cyclopropyl-(4-methylphenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[cyclopropyl(p-tolyl)methyl]amino]purin-2-yl]amine Formula: C27H37N7 MolecularWeight: 459.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C27H37N7/c1-17-6-8-18(9-7-17)23(19-10-11-19)31-25-24-26(34(16-29-24)22-4-2-3-5-22)33-27(32-25)30-21-14-12-20(28)13-15-21/h6-9,16,19-23H,2-5,10-15,28H2,1H3,(H2,30,31,32,33)