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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[4-(3-methoxyphenyl)phenyl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[[4-(3-methoxyphenyl)phenyl]methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[4-(3-methoxyphenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[4-(3-methoxyphenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[[4-(3-methoxyphenyl)benzyl]amino]purin-2-yl]amine Formula: C28H35N7O MolecularWeight: 485.6238

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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=C4)OC)NC5CCC(CC5)N

Isomeric SMILES

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

InChI

InChI=1S/C28H35N7O/c1-18(2)35-17-31-25-26(33-28(34-27(25)35)32-23-13-11-22(29)12-14-23)30-16-19-7-9-20(10-8-19)21-5-4-6-24(15-21)36-3/h4-10,15,17-18,22-23H,11-14,16,29H2,1-3H3,(H2,30,32,33,34)