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

Systemtic Name: 7-but-2-ynyl-9-(cyclopropylmethyl)-6-piperazin-1-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-9-(cyclopropylmethyl)-6-piperazin-1-yl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-9-(cyclopropylmethyl)-6-(1-piperazinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-9-(cyclopropylmethyl)-6-piperazin-1-ylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-9-(cyclopropylmethyl)-6-piperazino-purin-8-one Formula: C23H31F3N6O4 MolecularWeight: 512.52525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O.3C2H3FO/c1-2-3-8-22-14-15(21-9-6-18-7-10-21)19-12-20-16(14)23(17(22)24)11-13-4-5-13;3*1-2(3)4/h12-13,18H,4-11H2,1H3;3*1H3