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

Systemtic Name: N2-(4-methylcyclohexyl)-N6-[2-(4-phenylphenyl)ethyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: 9-isopropyl-N2-(4-methylcyclohexyl)-N6-[2-(4-phenylphenyl)ethyl]purine-2,6-diamine CAS Name: N2-(4-methylcyclohexyl)-N6-[2-(4-phenylphenyl)ethyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-methylcyclohexyl)-6-N-[2-(4-phenylphenyl)ethyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: [9-isopropyl-2-[(4-methylcyclohexyl)amino]purin-6-yl]-[2-(4-phenylphenyl)ethyl]amine Formula: C29H36N6 MolecularWeight: 468.63634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=NC3=C(C(=N2)NCCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

Isomeric SMILES

CC1CCC(CC1)NC2=NC3=C(C(=N2)NCCC4=CC=C(C=C4)C5=CC=CC=C5)N=CN3C(C)C

InChI

InChI=1S/C29H36N6/c1-20(2)35-19-31-26-27(33-29(34-28(26)35)32-25-15-9-21(3)10-16-25)30-18-17-22-11-13-24(14-12-22)23-7-5-4-6-8-23/h4-8,11-14,19-21,25H,9-10,15-18H2,1-3H3,(H2,30,32,33,34)