(phenylmethyl) 4-[[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[[9-isopropyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C35H39N7O2 MolecularWeight: 589.72986

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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)NCC5CCN(CC5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NCC5CCN(CC5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C35H39N7O2/c1-25(2)42-24-38-31-32(36-21-26-13-15-30(16-14-26)29-11-7-4-8-12-29)39-34(40-33(31)42)37-22-27-17-19-41(20-18-27)35(43)44-23-28-9-5-3-6-10-28/h3-16,24-25,27H,17-23H2,1-2H3,(H2,36,37,39,40)