(4-methylphenyl) 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate

Systemtic Name: (4-methylphenyl) 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate Openeye Name: p-tolyl 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylic acid p-tolyl ester Formula: C29H40N8O2 MolecularWeight: 532.6803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)N2CCC(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)N2CCC(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C29H40N8O2/c1-19-6-12-24(13-7-19)39-29(38)36-16-14-22(15-17-36)32-26-25-27(37(18-31-25)23-4-2-3-5-23)35-28(34-26)33-21-10-8-20(30)9-11-21/h6-7,12-13,18,20-23H,2-5,8-11,14-17,30H2,1H3,(H2,32,33,34,35)