4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid Openeye Name: 4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid Traditional Name: 4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]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=NC=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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