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

Systemtic Name: N2-(2-azanylcyclohexyl)-N6-[(4-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(2-aminocyclohexyl)-9-isopropyl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-(2-aminocyclohexyl)-N6-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(2-aminocyclohexyl)-6-N-[(4-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (2-aminocyclohexyl)-[9-isopropyl-6-[(4-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=C(C=C3)C4=CC=CC=C4)NC5CCCCC5N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCCCC5N

InChI

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