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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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