1-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-methanamine; 4-phenyl-2-pyridin-4-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-methanamine; 4-phenyl-2-pyridin-4-yl-pyrimidine-5-carboxylic acid Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-methanamine; 4-phenyl-2-(4-pyridyl)pyrimidine-5-carboxylic acid CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine; 4-phenyl-2-pyridin-4-yl-5-pyrimidinecarboxylic acid IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine; 4-phenyl-2-pyridin-4-ylpyrimidine-5-carboxylic acid Traditional Name: [3,5-bis(trifluoromethyl)benzyl]-methyl-amine; 4-phenyl-2-(4-pyridyl)pyrimidine-5-carboxylic acid Formula: C26H20F6N4O2 MolecularWeight: 534.453019

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)O)C3=CC=NC=C3

Isomeric SMILES

CNCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C16H11N3O2.C10H9F6N/c20-16(21)13-10-18-15(12-6-8-17-9-7-12)19-14(13)11-4-2-1-3-5-11;1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h1-10H,(H,20,21);2-4,17H,5H2,1H3