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

Systemtic Name: 1-[4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]-1-piperidyl]ethanone CAS Name: 1-[4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]piperidino]ethanone Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

Isomeric SMILES

CC(=O)N1CCC(CC1)CC#CC2=NC3=C(C(=N2)N)N=CN3CC#C

InChI

InChI=1S/C18H20N6O/c1-3-9-24-12-20-16-17(19)21-15(22-18(16)24)6-4-5-14-7-10-23(11-8-14)13(2)25/h1,12,14H,5,7-11H2,2H3,(H2,19,21,22)