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

Systemtic Name: 4-methoxy-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 4-methoxy-3-[[2-(3-pyridyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid hydrochloride CAS Name: 4-methoxy-3-[[2-(3-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]amino]benzoic acid hydrochloride IUPAC Name: 4-methoxy-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 4-methoxy-3-[[2-(3-pyridyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid hydrochloride Formula: C18H14ClF3N4O3 MolecularWeight: 426.77697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC(=C2)C(F)(F)F)C3=CN=CC=C3.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC(=C2)C(F)(F)F)C3=CN=CC=C3.Cl

InChI

InChI=1S/C18H13F3N4O3.ClH/c1-28-13-5-4-10(17(26)27)7-12(13)23-15-8-14(18(19,20)21)24-16(25-15)11-3-2-6-22-9-11;/h2-9H,1H3,(H,26,27)(H,23,24,25);1H