3-[6-(methylamino)pyrimidin-4-yl]benzoic acid

Systemtic Name: 3-[6-(methylamino)pyrimidin-4-yl]benzoic acid Openeye Name: 3-[6-(methylamino)pyrimidin-4-yl]benzoic acid CAS Name: 3-[6-(methylamino)-4-pyrimidinyl]benzoic acid IUPAC Name: 3-[6-(methylamino)pyrimidin-4-yl]benzoic acid Traditional Name: 3-[6-(methylamino)pyrimidin-4-yl]benzoic acid Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC(=C1)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CNC1=NC=NC(=C1)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C12H11N3O2/c1-13-11-6-10(14-7-15-11)8-3-2-4-9(5-8)12(16)17/h2-7H,1H3,(H,16,17)(H,13,14,15)