N2-(4-azanylcyclohexyl)-N6-[[4-(3,5-dimethylphenyl)phenyl]methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[4-(3,5-dimethylphenyl)phenyl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[[4-(3,5-dimethylphenyl)phenyl]methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[4-(3,5-dimethylphenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[4-(3,5-dimethylphenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[4-(3,5-dimethylphenyl)benzyl]amino]-9-isopropyl-purin-2-yl]amine Formula: C29H37N7 MolecularWeight: 483.65098

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C29H37N7/c1-18(2)36-17-32-26-27(34-29(35-28(26)36)33-25-11-9-24(30)10-12-25)31-16-21-5-7-22(8-6-21)23-14-19(3)13-20(4)15-23/h5-8,13-15,17-18,24-25H,9-12,16,30H2,1-4H3,(H2,31,33,34,35)