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

Systemtic Name: 7-but-2-ynyl-2-chloranyl-6-piperazin-1-yl-9-propyl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-6-piperazin-1-yl-9-propyl-purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-6-(1-piperazinyl)-9-propyl-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-6-piperazin-1-yl-9-propylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-2-chloro-6-piperazino-9-propyl-purin-8-one Formula: C22H30ClF3N6O4 MolecularWeight: 534.95961

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)Cl)N3CCNCC3)N(C1=O)CC#CC.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)Cl)N3CCNCC3)N(C1=O)CC#CC.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C16H21ClN6O.3C2H3FO/c1-3-5-9-22-12-13(21-10-6-18-7-11-21)19-15(17)20-14(12)23(8-4-2)16(22)24;3*1-2(3)4/h18H,4,6-11H2,1-2H3;3*1H3