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

Systemtic Name: 2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 2-but-2-ynoxy-7-but-2-ynyl-9-methyl-6-piperazino-purin-8-one Formula: C24H31F3N6O5 MolecularWeight: 540.53535

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OCC#CC)N(C1=O)C.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OCC#CC)N(C1=O)C.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C18H22N6O2.3C2H3FO/c1-4-6-10-24-14-15(22(3)18(24)25)20-17(26-13-7-5-2)21-16(14)23-11-8-19-9-12-23;3*1-2(3)4/h19H,8-13H2,1-3H3;3*1H3