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

Systemtic Name: (4-chlorophenyl) 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate Openeye Name: (4-chlorophenyl) 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-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 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 (4-chlorophenyl) ester Formula: C28H37ClN8O2 MolecularWeight: 553.09878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)OC5=CC=C(C=C5)Cl)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)OC5=CC=C(C=C5)Cl)NC6CCC(CC6)N

InChI

InChI=1S/C28H37ClN8O2/c29-18-5-11-23(12-6-18)39-28(38)36-15-13-21(14-16-36)32-25-24-26(37(17-31-24)22-3-1-2-4-22)35-27(34-25)33-20-9-7-19(30)8-10-20/h5-6,11-12,17,19-22H,1-4,7-10,13-16,30H2,(H2,32,33,34,35)