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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[4-(2,5-dimethoxyphenyl)phenyl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[[4-(2,5-dimethoxyphenyl)phenyl]methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[4-(2,5-dimethoxyphenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[4-(2,5-dimethoxyphenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[4-(2,5-dimethoxyphenyl)benzyl]amino]-9-isopropyl-purin-2-yl]amine Formula: C29H37N7O2 MolecularWeight: 515.64978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N7O2/c1-18(2)36-17-32-26-27(34-29(35-28(26)36)33-22-11-9-21(30)10-12-22)31-16-19-5-7-20(8-6-19)24-15-23(37-3)13-14-25(24)38-4/h5-8,13-15,17-18,21-22H,9-12,16,30H2,1-4H3,(H2,31,33,34,35)