4-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[4-chloro-3-(trifluoromethyl)anilino]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-[4-chloro-3-(trifluoromethyl)anilino]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[4-chloro-3-(trifluoromethyl)anilino]-6-methyl-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-[4-chloro-3-(trifluoromethyl)anilino]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid Formula: C19H13ClF3N3O2 MolecularWeight: 407.77363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H13ClF3N3O2/c1-10-15(18(27)28)17(26-16(24-10)11-5-3-2-4-6-11)25-12-7-8-14(20)13(9-12)19(21,22)23/h2-9H,1H3,(H,27,28)(H,24,25,26)