2-chloranyl-7,9-dimethyl-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride

Systemtic Name: 2-chloranyl-7,9-dimethyl-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 2-chloro-7,9-dimethyl-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 2-chloro-7,9-dimethyl-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 2-chloro-7,9-dimethyl-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 2-chloro-7,9-dimethyl-6-piperazino-purin-8-one Formula: C17H24ClF3N6O4 MolecularWeight: 468.85847

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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)Cl)N(C1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C11H15ClN6O.3C2H3FO/c1-16-7-8(17(2)11(16)19)14-10(12)15-9(7)18-5-3-13-4-6-18;3*1-2(3)4/h13H,3-6H2,1-2H3;3*1H3