[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C25H20BrN3O3 MolecularWeight: 490.3486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)OC1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CC=CC=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H20BrN3O3/c1-17(31-21-12-10-19(26)11-13-21)25(30)32-22-9-5-8-20(14-22)29-24-15-23(27-16-28-24)18-6-3-2-4-7-18/h2-17H,1H3,(H,27,28,29)