7-but-2-ynyl-2-ethoxy-6-piperazin-1-yl-9-prop-2-enyl-purin-8-one; ethanoyl fluoride

Systemtic Name: 7-but-2-ynyl-2-ethoxy-6-piperazin-1-yl-9-prop-2-enyl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 9-allyl-7-but-2-ynyl-2-ethoxy-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-2-ethoxy-6-(1-piperazinyl)-9-prop-2-enyl-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-2-ethoxy-6-piperazin-1-yl-9-prop-2-enylpurin-8-one Traditional Name: acetyl fluoride; 9-allyl-7-but-2-ynyl-2-ethoxy-6-piperazino-purin-8-one Formula: C24H33F3N6O5 MolecularWeight: 542.55123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C(=N1)N3CCNCC3)N(C(=O)N2CC=C)CC#CC.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CCOC1=NC2=C(C(=N1)N3CCNCC3)N(C(=O)N2CC=C)CC#CC.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C18H24N6O2.3C2H3FO/c1-4-7-11-23-14-15(22-12-8-19-9-13-22)20-17(26-6-3)21-16(14)24(10-5-2)18(23)25;3*1-2(3)4/h5,19H,2,6,8-13H2,1,3H3;3*1H3