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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(3-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[(3-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(3-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(3-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[(3-phenylbenzyl)amino]purin-2-yl]amine Formula: C27H33N7 MolecularWeight: 455.59782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N7/c1-18(2)34-17-30-24-25(32-27(33-26(24)34)31-23-13-11-22(28)12-14-23)29-16-19-7-6-10-21(15-19)20-8-4-3-5-9-20/h3-10,15,17-18,22-23H,11-14,16,28H2,1-2H3,(H2,29,31,32,33)