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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=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)32-24-14-12-23(29)13-15-24)30-16-20-6-10-22(11-7-20)21-8-4-19(3)5-9-21/h4-11,17-18,23-24H,12-16,29H2,1-3H3,(H2,30,32,33,34)