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

Systemtic Name: 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate CAS Name: 3-[(2,6-dimethyl-4-pyrimidinyl)amino]benzoate IUPAC Name: 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate Formula: C13H12N3O2- MolecularWeight: 242.25328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H13N3O2/c1-8-6-12(15-9(2)14-8)16-11-5-3-4-10(7-11)13(17)18/h3-7H,1-2H3,(H,17,18)(H,14,15,16)/p-1