N-[4-[[6-[2-(2-phenyl-1H-imidazol-5-yl)ethylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]ethanamide

Systemtic Name: N-[4-[[6-[2-(2-phenyl-1H-imidazol-5-yl)ethylamino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]ethanamide Openeye Name: N-[4-[[9-isopropyl-6-[2-(2-phenyl-1H-imidazol-5-yl)ethylamino]purin-2-yl]amino]cyclohexyl]acetamide CAS Name: N-[4-[[6-[2-(2-phenyl-1H-imidazol-5-yl)ethylamino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]acetamide IUPAC Name: N-[4-[[6-[2-(2-phenyl-1H-imidazol-5-yl)ethylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide Traditional Name: N-[4-[[9-isopropyl-6-[2-(2-phenyl-1H-imidazol-5-yl)ethylamino]purin-2-yl]amino]cyclohexyl]acetamide Formula: C27H35N9O MolecularWeight: 501.6265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CN=C(N3)C4=CC=CC=C4)NC5CCC(CC5)NC(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CN=C(N3)C4=CC=CC=C4)NC5CCC(CC5)NC(=O)C

InChI

InChI=1S/C27H35N9O/c1-17(2)36-16-30-23-25(28-14-13-22-15-29-24(32-22)19-7-5-4-6-8-19)34-27(35-26(23)36)33-21-11-9-20(10-12-21)31-18(3)37/h4-8,15-17,20-21H,9-14H2,1-3H3,(H,29,32)(H,31,37)(H2,28,33,34,35)