7-but-2-ynyl-9-(2-chloranylpyridin-4-yl)-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride

Systemtic Name: 7-but-2-ynyl-9-(2-chloranylpyridin-4-yl)-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-9-(2-chloro-4-pyridyl)-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-9-(2-chloro-4-pyridinyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-9-(2-chloropyridin-4-yl)-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-9-(2-chloro-4-pyridyl)-6-piperazino-purin-8-one Formula: C24H27ClF3N7O4 MolecularWeight: 569.96389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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