5-bromanyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid Openeye Name: 5-bromo-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid CAS Name: 5-bromo-2-[(4,6-dimethyl-2-pyrimidinyl)amino]benzoic acid IUPAC Name: 5-bromo-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid Traditional Name: 5-bromo-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid Formula: C13H12BrN3O2 MolecularWeight: 322.15728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3O2/c1-7-5-8(2)16-13(15-7)17-11-4-3-9(14)6-10(11)12(18)19/h3-6H,1-2H3,(H,18,19)(H,15,16,17)