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

Systemtic Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-2-propan-2-yloxy-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-2-isopropoxy-9-methyl-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-9-methyl-6-(1-piperazinyl)-2-propan-2-yloxy-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-2-propan-2-yloxypurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-2-isopropoxy-9-methyl-6-piperazino-purin-8-one Formula: C23H33F3N6O5 MolecularWeight: 530.54053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O2.3C2H3FO/c1-5-6-9-23-13-14(21(4)17(23)24)19-16(25-12(2)3)20-15(13)22-10-7-18-8-11-22;3*1-2(3)4/h12,18H,7-11H2,1-4H3;3*1H3