[4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C24H18BrN3O2 MolecularWeight: 460.32262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H18BrN3O2/c1-16-26-22(17-5-3-2-4-6-17)15-23(27-16)28-20-11-13-21(14-12-20)30-24(29)18-7-9-19(25)10-8-18/h2-15H,1H3,(H,26,27,28)