[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C23H15ClFN3O2 MolecularWeight: 419.835503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H15ClFN3O2/c24-18-7-4-8-19(25)22(18)23(29)30-17-11-9-16(10-12-17)28-21-13-20(26-14-27-21)15-5-2-1-3-6-15/h1-14H,(H,26,27,28)