7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-9-pyridin-3-yl-purin-8-one; ethanoyl fluoride

Systemtic Name: 7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-9-pyridin-3-yl-purin-8-one; ethanoyl fluoride Openeye Name: acetyl fluoride; 7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-9-(3-pyridyl)purin-8-one CAS Name: acetyl fluoride; 7-but-2-ynyl-2-methoxy-6-(1-piperazinyl)-9-(3-pyridinyl)-8-purinone IUPAC Name: acetyl fluoride; 7-but-2-ynyl-2-methoxy-6-piperazin-1-yl-9-pyridin-3-ylpurin-8-one Traditional Name: acetyl fluoride; 7-but-2-ynyl-2-methoxy-6-piperazino-9-(3-pyridyl)purin-8-one Formula: C25H30F3N7O5 MolecularWeight: 565.54481

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC)N(C1=O)C4=CN=CC=C4.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC)N(C1=O)C4=CN=CC=C4.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C19H21N7O2.3C2H3FO/c1-3-4-10-25-15-16(24-11-8-20-9-12-24)22-18(28-2)23-17(15)26(19(25)27)14-6-5-7-21-13-14;3*1-2(3)4/h5-7,13,20H,8-12H2,1-2H3;3*1H3