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

Systemtic Name: 2-methylpropyl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C22H31N7O2 MolecularWeight: 425.52724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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