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

Systemtic Name: 7-but-2-ynyl-2-chloranyl-9-(furan-3-yl)-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-9-(3-furyl)-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-9-(3-furanyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-9-(furan-3-yl)-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-9-(3-furyl)-6-piperazino-purin-8-one Formula: C23H26ClF3N6O5 MolecularWeight: 558.93795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN6O2.3C2H3FO/c1-2-3-7-23-13-14(22-8-5-19-6-9-22)20-16(18)21-15(13)24(17(23)25)12-4-10-26-11-12;3*1-2(3)4/h4,10-11,19H,5-9H2,1H3;3*1H3