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

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

Systemtic Name:7-but-2-ynyl-2-chloranyl-9-methyl-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride
Openeye Name:acetyl fluoride; 7-but-2-ynyl-2-chloro-9-methyl-6-piperazin-1-yl-purin-8-one
CAS Name:acetyl fluoride; 7-but-2-ynyl-2-chloro-9-methyl-6-(1-piperazinyl)-8-purinone
IUPAC Name:acetyl fluoride; 7-but-2-ynyl-2-chloro-9-methyl-6-piperazin-1-ylpurin-8-one
Traditional Name:acetyl fluoride; 7-but-2-ynyl-2-chloro-9-methyl-6-piperazino-purin-8-one
Formula: C20H26ClF3N6O4
MolecularWeight: 506.90645
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H17ClN6O.3C2H3FO/c1-3-4-7-21-10-11(19(2)14(21)22)17-13(15)18-12(10)20-8-5-16-6-9-20;3*1-2(3)4/h16H,5-9H2,1-2H3;3*1H3


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