benzamide; (7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl) 2,2,2-tris(fluoranyl)ethaneperoxoate

Systemtic Name: benzamide; (7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl) 2,2,2-tris(fluoranyl)ethaneperoxoate Openeye Name: benzamide; (7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl) 2,2,2-trifluoroperoxyacetate CAS Name: benzamide; 2,2,2-trifluoroethaneperoxoic acid [7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-3H-purin-2-yl] ester IUPAC Name: benzamide; (7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl) 2,2,2-trifluoroethaneperoxoate Traditional Name: benzamide; 2,2,2-trifluoroperacetic acid (7-but-2-ynyl-6-keto-8-piperazino-3H-purin-2-yl) ester Formula: C22H22F3N7O5 MolecularWeight: 521.44919

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=NC2=O)OOC(=O)C(F)(F)F)N=C1N3CCNCC3.C1=CC=C(C=C1)C(=O)N

Isomeric SMILES

CC#CCN1C2=C(NC(=NC2=O)OOC(=O)C(F)(F)F)N=C1N3CCNCC3.C1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C15H15F3N6O4.C7H7NO/c1-2-3-6-24-9-10(21-14(24)23-7-4-19-5-8-23)20-13(22-11(9)25)28-27-12(26)15(16,17)18;8-7(9)6-4-2-1-3-5-6/h19H,4-8H2,1H3,(H,20,22,25);1-5H,(H2,8,9)