N2-(4-azanylcyclohexyl)-N6-[[4-(3-methylphenyl)phenyl]methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[4-(3-methylphenyl)phenyl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[[4-(m-tolyl)phenyl]methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[4-(3-methylphenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[4-(3-methylphenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[[4-(m-tolyl)benzyl]amino]purin-2-yl]amine Formula: C28H35N7 MolecularWeight: 469.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)CNC3=NC(=NC4=C3N=CN4C(C)C)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)CNC3=NC(=NC4=C3N=CN4C(C)C)NC5CCC(CC5)N

InChI

InChI=1S/C28H35N7/c1-18(2)35-17-31-25-26(33-28(34-27(25)35)32-24-13-11-23(29)12-14-24)30-16-20-7-9-21(10-8-20)22-6-4-5-19(3)15-22/h4-10,15,17-18,23-24H,11-14,16,29H2,1-3H3,(H2,30,32,33,34)