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

Systemtic Name: N-[2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[2-[[6-[(4-bromophenyl)methylamino]-9-isopropyl-purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[2-[[6-[(4-bromophenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[2-[[6-[(4-bromobenzyl)amino]-9-isopropyl-purin-2-yl]amino]cyclohexyl]acetamide Formula: C23H30BrN7O MolecularWeight: 500.4346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)NC4CCCCC4NC(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)NC4CCCCC4NC(=O)C

InChI

InChI=1S/C23H30BrN7O/c1-14(2)31-13-26-20-21(25-12-16-8-10-17(24)11-9-16)29-23(30-22(20)31)28-19-7-5-4-6-18(19)27-15(3)32/h8-11,13-14,18-19H,4-7,12H2,1-3H3,(H,27,32)(H2,25,28,29,30)