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

Systemtic Name: phenyl 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidine-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C28H38N8O2 MolecularWeight: 518.65372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N8O2/c29-19-10-12-20(13-11-19)32-27-33-25(24-26(34-27)36(18-30-24)22-6-4-5-7-22)31-21-14-16-35(17-15-21)28(37)38-23-8-2-1-3-9-23/h1-3,8-9,18-22H,4-7,10-17,29H2,(H2,31,32,33,34)