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

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

Systemtic Name:7-but-2-ynyl-2-methoxy-9-methyl-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride
Openeye Name:acetyl fluoride; 7-but-2-ynyl-2-methoxy-9-methyl-6-piperazin-1-yl-purin-8-one
CAS Name:acetyl fluoride; 7-but-2-ynyl-2-methoxy-9-methyl-6-(1-piperazinyl)-8-purinone
IUPAC Name:acetyl fluoride; 7-but-2-ynyl-2-methoxy-9-methyl-6-piperazin-1-ylpurin-8-one
Traditional Name:acetyl fluoride; 7-but-2-ynyl-2-methoxy-9-methyl-6-piperazino-purin-8-one
Formula: C21H29F3N6O5
MolecularWeight: 502.48737
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H20N6O2.3C2H3FO/c1-4-5-8-21-11-12(19(2)15(21)22)17-14(23-3)18-13(11)20-9-6-16-7-10-20;3*1-2(3)4/h16H,6-10H2,1-3H3;3*1H3


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