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

Systemtic Name: propan-2-yl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2/c1-15(2)30-22(29)27-12-10-16(11-13-27)6-5-9-18-25-20(23)19-21(26-18)28(14-24-19)17-7-3-4-8-17/h14-17H,3-4,6-8,10-13H2,1-2H3,(H2,23,25,26)