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

Systemtic Name: N2-(4-methylcyclohexyl)-N6-[(3-phenylphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: 9-isopropyl-N2-(4-methylcyclohexyl)-N6-[(3-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-(4-methylcyclohexyl)-N6-[(3-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-methylcyclohexyl)-6-N-[(3-phenylphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: [9-isopropyl-2-[(4-methylcyclohexyl)amino]purin-6-yl]-(3-phenylbenzyl)amine Formula: C28H34N6 MolecularWeight: 454.60976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=CC(=C4)C5=CC=CC=C5)N=CN3C(C)C

Isomeric SMILES

CC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=CC(=C4)C5=CC=CC=C5)N=CN3C(C)C

InChI

InChI=1S/C28H34N6/c1-19(2)34-18-30-25-26(32-28(33-27(25)34)31-24-14-12-20(3)13-15-24)29-17-21-8-7-11-23(16-21)22-9-5-4-6-10-22/h4-11,16,18-20,24H,12-15,17H2,1-3H3,(H2,29,31,32,33)