7-but-2-ynyl-2-(diethylamino)-9-methyl-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride

Systemtic Name: 7-but-2-ynyl-2-(diethylamino)-9-methyl-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-2-(diethylamino)-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-2-(diethylamino)-9-methyl-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-2-(diethylamino)-9-methyl-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-2-(diethylamino)-9-methyl-6-piperazino-purin-8-one Formula: C24H36F3N7O4 MolecularWeight: 543.58235

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(C(=N1)N3CCNCC3)N(C(=O)N2C)CC#CC.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CCN(CC)C1=NC2=C(C(=N1)N3CCNCC3)N(C(=O)N2C)CC#CC.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C18H27N7O.3C2H3FO/c1-5-8-11-25-14-15(22(4)18(25)26)20-17(23(6-2)7-3)21-16(14)24-12-9-19-10-13-24;3*1-2(3)4/h19H,6-7,9-13H2,1-4H3;3*1H3