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

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

Systemtic Name:7-but-2-ynyl-6-piperazin-1-yl-9H-purin-8-one; ethanoyl fluoride
Openeye Name:acetyl fluoride; 7-but-2-ynyl-6-piperazin-1-yl-9H-purin-8-one
CAS Name:acetyl fluoride; 7-but-2-ynyl-6-(1-piperazinyl)-9H-purin-8-one
IUPAC Name:acetyl fluoride; 7-but-2-ynyl-6-piperazin-1-yl-9H-purin-8-one
Traditional Name:acetyl fluoride; 7-but-2-ynyl-6-piperazino-9H-purin-8-one
Formula: C19H25F3N6O4
MolecularWeight: 458.43481
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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC1=O)N=CN=C2N3CCNCC3.CC(=O)F.CC(=O)F.CC(=O)F


Isomeric SMILES

CC#CCN1C2=C(NC1=O)N=CN=C2N3CCNCC3.CC(=O)F.CC(=O)F.CC(=O)F


InChI

InChI=1S/C13H16N6O.3C2H3FO/c1-2-3-6-19-10-11(17-13(19)20)15-9-16-12(10)18-7-4-14-5-8-18;3*1-2(3)4/h9,14H,4-8H2,1H3,(H,15,16,17,20);3*1H3


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