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

Systemtic Name: 4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzoic acid Openeye Name: 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridyl)amino]benzoic acid CAS Name: 4-methyl-3-[[3-(4-pyrimidinyl)-2-pyridinyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzoic acid Traditional Name: 4-methyl-3-[[3-(4-pyrimidyl)-2-pyridyl]amino]benzoic acid Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C=CC=N2)C3=NC=NC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C=CC=N2)C3=NC=NC=C3

InChI

InChI=1S/C17H14N4O2/c1-11-4-5-12(17(22)23)9-15(11)21-16-13(3-2-7-19-16)14-6-8-18-10-20-14/h2-10H,1H3,(H,19,21)(H,22,23)