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

Systemtic Name: methyl N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]carbamate Openeye Name: methyl N-[4-[[9-isopropyl-6-[(4-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]carbamate CAS Name: N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]carbamate Traditional Name: N-[4-[[9-isopropyl-6-[(4-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]carbamic acid methyl ester Formula: C29H35N7O2 MolecularWeight: 513.6339

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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)NC5CCC(CC5)NC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H35N7O2/c1-19(2)36-18-31-25-26(30-17-20-9-11-22(12-10-20)21-7-5-4-6-8-21)34-28(35-27(25)36)32-23-13-15-24(16-14-23)33-29(37)38-3/h4-12,18-19,23-24H,13-17H2,1-3H3,(H,33,37)(H2,30,32,34,35)