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

Systemtic Name: 7-but-2-ynyl-6-piperazin-1-yl-9-pyridin-3-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-6-piperazin-1-yl-9-(3-pyridyl)purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-6-(1-piperazinyl)-9-(3-pyridinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-6-piperazin-1-yl-9-pyridin-3-ylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-6-piperazino-9-(3-pyridyl)purin-8-one Formula: C24H28F3N7O4 MolecularWeight: 535.51883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O.3C2H3FO/c1-2-3-9-24-15-16(23-10-7-19-8-11-23)21-13-22-17(15)25(18(24)26)14-5-4-6-20-12-14;3*1-2(3)4/h4-6,12-13,19H,7-11H2,1H3;3*1H3