7,9-dimethyl-8-oxidanylidene-6-piperazin-1-yl-purine-2-carbonitrile; ethanoyl fluoride

Systemtic Name: 7,9-dimethyl-8-oxidanylidene-6-piperazin-1-yl-purine-2-carbonitrile; ethanoyl fluoride Openeye Name: acetyl fluoride; 7,9-dimethyl-8-oxo-6-piperazin-1-yl-purine-2-carbonitrile CAS Name: acetyl fluoride; 7,9-dimethyl-8-oxo-6-(1-piperazinyl)-2-purinecarbonitrile IUPAC Name: acetyl fluoride; 7,9-dimethyl-8-oxo-6-piperazin-1-ylpurine-2-carbonitrile Traditional Name: acetyl fluoride; 8-keto-7,9-dimethyl-6-piperazino-purine-2-carbonitrile Formula: C18H24F3N7O4 MolecularWeight: 459.42287

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.CN1C2=C(N=C(N=C2N3CCNCC3)C#N)N(C1=O)C

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.CN1C2=C(N=C(N=C2N3CCNCC3)C#N)N(C1=O)C

InChI

InChI=1S/C12H15N7O.3C2H3FO/c1-17-9-10(18(2)12(17)20)15-8(7-13)16-11(9)19-5-3-14-4-6-19;3*1-2(3)4/h14H,3-6H2,1-2H3;3*1H3