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

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

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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)NCC5CCCCC5

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NCC5CCCCC5

InChI

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