3-[[4-(2-methoxypyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-(2-methoxypyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-(2-methoxy-3-pyridyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[4-(2-methoxy-3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[4-(2-methoxypyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-(2-methoxy-3-pyridyl)pyrimidin-2-yl]amino]benzoic acid Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC=N1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14N4O3/c1-24-15-13(6-3-8-18-15)14-7-9-19-17(21-14)20-12-5-2-4-11(10-12)16(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)