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

Systemtic Name: N-[4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide Openeye Name: N-[4-[[6-[(4-bromophenyl)methylamino]-9-isopropyl-purin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide CAS Name: N-[4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[6-[(4-bromophenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide Traditional Name: N-[4-[[6-[(4-bromobenzyl)amino]-9-isopropyl-purin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide Formula: C25H32BrN7O MolecularWeight: 526.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)NC4CCC(CC4)NC(=O)C5CC5

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)Br)NC4CCC(CC4)NC(=O)C5CC5

InChI

InChI=1S/C25H32BrN7O/c1-15(2)33-14-28-21-22(27-13-16-3-7-18(26)8-4-16)31-25(32-23(21)33)30-20-11-9-19(10-12-20)29-24(34)17-5-6-17/h3-4,7-8,14-15,17,19-20H,5-6,9-13H2,1-2H3,(H,29,34)(H2,27,30,31,32)