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

Systemtic Name: ethyl 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7O2/c1-2-29-20(28)26-12-10-25(11-13-26)9-5-8-16-23-18(21)17-19(24-16)27(14-22-17)15-6-3-4-7-15/h14-15H,2-4,6-7,9-13H2,1H3,(H2,21,23,24)