1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]piperidin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]piperidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]-1-piperidyl]-2-phenoxy-ethanone CAS Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-propan-2-yl-6-purinyl]amino]-1-piperidinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]piperidin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]piperidino]-2-phenoxy-ethanone Formula: C27H38N8O2 MolecularWeight: 506.64302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3CCN(CC3)C(=O)COC4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3CCN(CC3)C(=O)COC4=CC=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C27H38N8O2/c1-18(2)35-17-29-24-25(32-27(33-26(24)35)31-20-10-8-19(28)9-11-20)30-21-12-14-34(15-13-21)23(36)16-37-22-6-4-3-5-7-22/h3-7,17-21H,8-16,28H2,1-2H3,(H2,30,31,32,33)