7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purine-8-thione; ethanoyl fluoride

Systemtic Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purine-8-thione; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-purine-8-thione CAS Name: acetyl fluoride; 7-but-2-ynyl-9-methyl-6-(1-piperazinyl)-8-purinethione IUPAC Name: acetyl fluoride; 7-but-2-ynyl-9-methyl-6-piperazin-1-ylpurine-8-thione Traditional Name: acetyl fluoride; 7-but-2-ynyl-9-methyl-6-piperazino-purine-8-thione Formula: C20H27F3N6O3S MolecularWeight: 488.52699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6S.3C2H3FO/c1-3-4-7-20-11-12(18(2)14(20)21)16-10-17-13(11)19-8-5-15-6-9-19;3*1-2(3)4/h10,15H,5-9H2,1-2H3;3*1H3