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

Systemtic Name: 7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-9-prop-2-enyl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 9-allyl-7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-2-methoxy-6-(1-piperazinyl)-9-prop-2-enyl-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-9-prop-2-enylpurin-8-one Traditional Name: acetyl fluoride; 9-allyl-7-but-2-ynyl-2-methoxy-6-piperazino-purin-8-one Formula: C23H31F3N6O5 MolecularWeight: 528.52465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2.3C2H3FO/c1-4-6-10-22-13-14(21-11-7-18-8-12-21)19-16(25-3)20-15(13)23(9-5-2)17(22)24;3*1-2(3)4/h5,18H,2,7-12H2,1,3H3;3*1H3