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

Systemtic Name: 7-but-2-ynyl-2-chloranyl-6-piperazin-1-yl-9-pyridin-3-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-6-piperazin-1-yl-9-(3-pyridyl)purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-6-(1-piperazinyl)-9-(3-pyridinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-6-piperazin-1-yl-9-pyridin-3-ylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-6-piperazino-9-(3-pyridyl)purin-8-one Formula: C24H27ClF3N7O4 MolecularWeight: 569.96389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN7O.3C2H3FO/c1-2-3-9-25-14-15(24-10-7-20-8-11-24)22-17(19)23-16(14)26(18(25)27)13-5-4-6-21-12-13;3*1-2(3)4/h4-6,12,20H,7-11H2,1H3;3*1H3