1-[4-[[5-fluoranyl-4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]ethanone; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[4-[[5-fluoranyl-4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]ethanone; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[4-[[5-fluoro-4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]ethanone; 2,2,2-trifluoroacetic acid CAS Name: 1-[4-[[5-fluoro-4-[1H-indazol-4-yl(methyl)amino]-2-pyrimidinyl]amino]phenyl]ethanone; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[4-[[5-fluoro-4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]ethanone; 2,2,2-trifluoroacetic acid Traditional Name: 1-[4-[[5-fluoro-4-[1H-indazol-4-yl(methyl)amino]pyrimidin-2-yl]amino]phenyl]ethanone; 2,2,2-trifluoroacetic acid Formula: C22H18F4N6O3 MolecularWeight: 490.410333

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)N(C)C3=CC=CC4=C3C=NN4)F.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)N(C)C3=CC=CC4=C3C=NN4)F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H17FN6O.C2HF3O2/c1-12(28)13-6-8-14(9-7-13)24-20-22-11-16(21)19(25-20)27(2)18-5-3-4-17-15(18)10-23-26-17;3-2(4,5)1(6)7/h3-11H,1-2H3,(H,23,26)(H,22,24,25);(H,6,7)