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

Systemtic Name: ethyl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2/c1-2-29-21(28)26-12-10-15(11-13-26)6-5-9-17-24-19(22)18-20(25-17)27(14-23-18)16-7-3-4-8-16/h14-16H,2-4,6-8,10-13H2,1H3,(H2,22,24,25)