7-but-2-ynyl-9-(6-oxidanylidene-1H-pyridin-3-yl)-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride

Systemtic Name: 7-but-2-ynyl-9-(6-oxidanylidene-1H-pyridin-3-yl)-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-9-(6-oxo-1H-pyridin-3-yl)-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-9-(6-oxo-1H-pyridin-3-yl)-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-9-(6-oxo-1H-pyridin-3-yl)-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-9-(6-keto-1H-pyridin-3-yl)-6-piperazino-purin-8-one Formula: C24H28F3N7O5 MolecularWeight: 551.51823

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)C4=CNC(=O)C=C4.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CC#CCN1C2=C(N=CN=C2N3CCNCC3)N(C1=O)C4=CNC(=O)C=C4.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C18H19N7O2.3C2H3FO/c1-2-3-8-24-15-16(23-9-6-19-7-10-23)21-12-22-17(15)25(18(24)27)13-4-5-14(26)20-11-13;3*1-2(3)4/h4-5,11-12,19H,6-10H2,1H3,(H,20,26);3*1H3