tert-butyl N-[4-[[6-[(3-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-[[6-[(3-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[[9-isopropyl-6-[(3-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]carbamate CAS Name: N-[4-[[6-[(3-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[6-[(3-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]carbamate Traditional Name: N-[4-[[9-isopropyl-6-[(3-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]carbamic acid tert-butyl ester Formula: C32H41N7O2 MolecularWeight: 555.71364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC(=C3)C4=CC=CC=C4)NC5CCC(CC5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC(=C3)C4=CC=CC=C4)NC5CCC(CC5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H41N7O2/c1-21(2)39-20-34-27-28(33-19-22-10-9-13-24(18-22)23-11-7-6-8-12-23)37-30(38-29(27)39)35-25-14-16-26(17-15-25)36-31(40)41-32(3,4)5/h6-13,18,20-21,25-26H,14-17,19H2,1-5H3,(H,36,40)(H2,33,35,37,38)