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

Systemtic Name: 4-methoxy-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-methoxy-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-methoxy-3-[[2-(2-pyrazinyl)-6-(trifluoromethyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-methoxy-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid Formula: C17H12F3N5O3 MolecularWeight: 391.30409

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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=NC=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N5O3/c1-28-12-3-2-9(16(26)27)6-10(12)23-14-7-13(17(18,19)20)24-15(25-14)11-8-21-4-5-22-11/h2-8H,1H3,(H,26,27)(H,23,24,25)