2-chloranyl-9-methyl-7-(phenylmethyl)-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride

Systemtic Name: 2-chloranyl-9-methyl-7-(phenylmethyl)-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-benzyl-2-chloro-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 2-chloro-9-methyl-7-(phenylmethyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-benzyl-2-chloro-9-methyl-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 7-benzyl-2-chloro-9-methyl-6-piperazino-purin-8-one Formula: C23H28ClF3N6O4 MolecularWeight: 544.95443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.CN1C2=C(C(=NC(=N2)Cl)N3CCNCC3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.CN1C2=C(C(=NC(=N2)Cl)N3CCNCC3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C17H19ClN6O.3C2H3FO/c1-22-14-13(24(17(22)25)11-12-5-3-2-4-6-12)15(21-16(18)20-14)23-9-7-19-8-10-23;3*1-2(3)4/h2-6,19H,7-11H2,1H3;3*1H3