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

Systemtic Name: 7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-9-(cyclopropylmethyl)-2-methoxy-6-piperazino-purin-8-one Formula: C24H33F3N6O5 MolecularWeight: 542.55123

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC)N(C1=O)CC4CC4.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC)N(C1=O)CC4CC4.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C18H24N6O2.3C2H3FO/c1-3-4-9-23-14-15(22-10-7-19-8-11-22)20-17(26-2)21-16(14)24(18(23)25)12-13-5-6-13;3*1-2(3)4/h13,19H,5-12H2,1-2H3;3*1H3