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

Systemtic Name: N-[4-[[6-[(3-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[(3-phenylphenyl)methylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[6-[(3-phenylphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[6-[(3-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-isopropyl-6-[(3-phenylbenzyl)amino]purin-2-yl]amino]cyclohexyl]acetamide Formula: C29H35N7O MolecularWeight: 497.6345

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C29H35N7O/c1-19(2)36-18-31-26-27(30-17-21-8-7-11-23(16-21)22-9-5-4-6-10-22)34-29(35-28(26)36)33-25-14-12-24(13-15-25)32-20(3)37/h4-11,16,18-19,24-25H,12-15,17H2,1-3H3,(H,32,37)(H2,30,33,34,35)