[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-bromanylbenzoate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-bromanylbenzoate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C19H16BrN3O2 MolecularWeight: 398.25324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O2/c1-12-10-13(2)22-19(21-12)23-16-4-3-5-17(11-16)25-18(24)14-6-8-15(20)9-7-14/h3-11H,1-2H3,(H,21,22,23)