(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl) 2,2,2-tris(fluoranyl)ethaneperoxoate; cyclopropanecarboxamide

Systemtic Name: (7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl) 2,2,2-tris(fluoranyl)ethaneperoxoate; cyclopropanecarboxamide Openeye Name: (7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl) 2,2,2-trifluoroperoxyacetate; cyclopropanecarboxamide CAS Name: cyclopropanecarboxamide; 2,2,2-trifluoroethaneperoxoic acid [7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl] ester IUPAC Name: (7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl) 2,2,2-trifluoroethaneperoxoate; cyclopropanecarboxamide Traditional Name: cyclopropanecarboxamide; 2,2,2-trifluoroperacetic acid (7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl) ester Formula: C20H24F3N7O5 MolecularWeight: 499.44367

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OOC(=O)C(F)(F)F.C1CC1C(=O)N

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OOC(=O)C(F)(F)F.C1CC1C(=O)N

InChI

InChI=1S/C16H17F3N6O4.C4H7NO/c1-3-4-7-25-10-11(21-14(25)24-8-5-20-6-9-24)22-15(23(2)12(10)26)29-28-13(27)16(17,18)19;5-4(6)3-1-2-3/h20H,5-9H2,1-2H3;3H,1-2H2,(H2,5,6)