2-methylpropyl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate

Systemtic Name: 2-methylpropyl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: isobutyl 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate CAS Name: 4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-1-piperidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Traditional Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylic acid isobutyl ester Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3C4CCCC4

Isomeric SMILES

CC(C)COC(=O)N1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3C4CCCC4

InChI

InChI=1S/C23H32N6O2/c1-16(2)14-31-23(30)28-12-10-17(11-13-28)6-5-9-19-26-21(24)20-22(27-19)29(15-25-20)18-7-3-4-8-18/h15-18H,3-4,6-8,10-14H2,1-2H3,(H2,24,26,27)