3-{[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenol; bis(trifluoroacetic acid)

Formula: C22H16F6N4O6

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC1=CC=CC(=C1)C1=CC2=C(OC3=CC=CC(O)=C3)N=CN=C2N1

IUPAC: 3-{[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenol; bis(trifluoroacetic acid)

InChI: InChI=1S/C18H14N4O2.2C2HF3O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14;2*3-2(4,5)1(6)7/h1-10,23H,19H2,(H,20,21,22);2*(H,6,7)

Composition: C (48.36%), H (2.95%), F (20.86%), N (10.25%), O (17.57%)

Molar Mass: 546.382

Atom Count: 54

Heavy Atom Count: 38