4-[5-methyl-2-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[5-methyl-2-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[5-methyl-2-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[5-methyl-2-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[5-methyl-2-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[5-methyl-2-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C17H13F3N4O3 MolecularWeight: 378.30533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C17H13F3N4O3/c1-9-7-22-16(24-14(9)10-6-13(15(25)26)21-8-10)23-11-2-4-12(5-3-11)27-17(18,19)20/h2-8,21H,1H3,(H,25,26)(H,22,23,24)