3-[oxidanyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[oxidanyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[hydroxy-[2-(3-pyridyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[hydroxy-[2-(3-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[hydroxy-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[hydroxy-[2-(3-pyridyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid Formula: C17H11F3N4O3 MolecularWeight: 376.28945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(C2=NC(=NC(=C2)C(F)(F)F)C3=CN=CC=C3)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N(C2=NC(=NC(=C2)C(F)(F)F)C3=CN=CC=C3)O)C(=O)O

InChI

InChI=1S/C17H11F3N4O3/c18-17(19,20)13-8-14(23-15(22-13)11-4-2-6-21-9-11)24(27)12-5-1-3-10(7-12)16(25)26/h1-9,27H,(H,25,26)