7-but-2-ynyl-2-(2-ethanoylphenoxy)-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 7-but-2-ynyl-2-(2-ethanoylphenoxy)-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(2-acetylphenoxy)-7-but-2-ynyl-1-methyl-8-piperazin-1-yl-purin-6-one; 2,2,2-trifluoroacetic acid CAS Name: 2-(2-acetylphenoxy)-7-but-2-ynyl-1-methyl-8-(1-piperazinyl)-6-purinone; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(2-acetylphenoxy)-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one; 2,2,2-trifluoroacetic acid Traditional Name: 2-(2-acetylphenoxy)-7-but-2-ynyl-1-methyl-8-piperazino-purin-6-one; 2,2,2-trifluoroacetic acid Formula: C24H25F3N6O5 MolecularWeight: 534.48771

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H24N6O3.C2HF3O2/c1-4-5-12-28-18-19(24-21(28)27-13-10-23-11-14-27)25-22(26(3)20(18)30)31-17-9-7-6-8-16(17)15(2)29;3-2(4,5)1(6)7/h6-9,23H,10-14H2,1-3H3;(H,6,7)