1-[4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]-1-piperidyl]ethanone CAS Name: 1-[4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperidino]ethanone Formula: C20H26N6O MolecularWeight: 366.46004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O/c1-14(27)25-11-9-15(10-12-25)5-4-8-17-23-19(21)18-20(24-17)26(13-22-18)16-6-2-3-7-16/h13,15-16H,2-3,5-7,9-12H2,1H3,(H2,21,23,24)