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

Systemtic Name: 1-[4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]piperazino]ethanone Formula: C17H19N7O MolecularWeight: 337.37906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

Isomeric SMILES

CC(=O)N1CCN(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

InChI

InChI=1S/C17H19N7O/c1-3-6-24-12-19-15-16(18)20-14(21-17(15)24)5-4-7-22-8-10-23(11-9-22)13(2)25/h1,12H,6-11H2,2H3,(H2,18,20,21)