tert-butyl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H31N7O2 MolecularWeight: 425.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3C4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3C4CCCC4

InChI

InChI=1S/C22H31N7O2/c1-22(2,3)31-21(30)28-13-11-27(12-14-28)10-6-9-17-25-19(23)18-20(26-17)29(15-24-18)16-7-4-5-8-16/h15-16H,4-5,7-8,10-14H2,1-3H3,(H2,23,25,26)