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

Systemtic Name: 1-[4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]piperazino]ethanone Formula: C19H25N7O MolecularWeight: 367.4481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N7O/c1-14(27)25-11-9-24(10-12-25)8-4-7-16-22-18(20)17-19(23-16)26(13-21-17)15-5-2-3-6-15/h13,15H,2-3,5-6,8-12H2,1H3,(H2,20,22,23)