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

Systemtic Name: 2,2-dimethylpropyl 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate Openeye Name: 2,2-dimethylpropyl 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 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 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 neopentyl ester Formula: C27H44N8O2 MolecularWeight: 512.69066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)N1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)(C)COC(=O)N1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C27H44N8O2/c1-27(2,3)16-37-26(36)34-14-12-20(13-15-34)30-23-22-24(35(17-29-22)21-6-4-5-7-21)33-25(32-23)31-19-10-8-18(28)9-11-19/h17-21H,4-16,28H2,1-3H3,(H2,30,31,32,33)