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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[4-(2-chlorophenyl)phenyl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[[4-(2-chlorophenyl)phenyl]methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[4-(2-chlorophenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[4-(2-chlorophenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[4-(2-chlorophenyl)benzyl]amino]-9-isopropyl-purin-2-yl]amine Formula: C27H32ClN7 MolecularWeight: 490.04288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4Cl)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4Cl)NC5CCC(CC5)N

InChI

InChI=1S/C27H32ClN7/c1-17(2)35-16-31-24-25(33-27(34-26(24)35)32-21-13-11-20(29)12-14-21)30-15-18-7-9-19(10-8-18)22-5-3-4-6-23(22)28/h3-10,16-17,20-21H,11-15,29H2,1-2H3,(H2,30,32,33,34)