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

Systemtic Name: 7-but-2-ynyl-9-(furan-3-yl)-2-methoxy-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-9-(3-furyl)-2-methoxy-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-9-(3-furanyl)-2-methoxy-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-9-(furan-3-yl)-2-methoxy-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-9-(3-furyl)-2-methoxy-6-piperazino-purin-8-one Formula: C24H29F3N6O6 MolecularWeight: 554.51887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O3.3C2H3FO/c1-3-4-8-23-14-15(22-9-6-19-7-10-22)20-17(26-2)21-16(14)24(18(23)25)13-5-11-27-12-13;3*1-2(3)4/h5,11-12,19H,6-10H2,1-2H3;3*1H3