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

Systemtic Name: 7-but-2-ynyl-6-piperazin-1-yl-9-prop-2-ynyl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-6-piperazin-1-yl-9-prop-2-ynyl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-6-(1-piperazinyl)-9-prop-2-ynyl-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-6-piperazin-1-yl-9-prop-2-ynylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-6-piperazino-9-propargyl-purin-8-one Formula: C22H27F3N6O4 MolecularWeight: 496.48279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O.3C2H3FO/c1-3-5-9-21-13-14(20-10-6-17-7-11-20)18-12-19-15(13)22(8-4-2)16(21)23;3*1-2(3)4/h2,12,17H,6-11H2,1H3;3*1H3