[3,5-bis(trifluoromethyl)phenyl]methanamine; 2,4-diphenylpyrimidine-5-carboxylic acid

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 2,4-diphenylpyrimidine-5-carboxylic acid Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 2,4-diphenylpyrimidine-5-carboxylic acid CAS Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 2,4-diphenyl-5-pyrimidinecarboxylic acid IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine; 2,4-diphenylpyrimidine-5-carboxylic acid Traditional Name: [3,5-bis(trifluoromethyl)benzyl]amine; 2,4-diphenylpyrimidine-5-carboxylic acid Formula: C26H19F6N3O2 MolecularWeight: 519.438379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)O)C3=CC=CC=C3.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC=C2C(=O)O)C3=CC=CC=C3.C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CN

InChI

InChI=1S/C17H12N2O2.C9H7F6N/c20-17(21)14-11-18-16(13-9-5-2-6-10-13)19-15(14)12-7-3-1-4-8-12;10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-11H,(H,20,21);1-3H,4,16H2