2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid 2-[(4,6-dimethyl-2-pyrimidinyl)amino]ethyl ester IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid 2-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl ester Formula: C17H15F6N3O2 MolecularWeight: 407.310319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCCOC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)NCCOC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C17H15F6N3O2/c1-9-5-10(2)26-15(25-9)24-3-4-28-14(27)11-6-12(16(18,19)20)8-13(7-11)17(21,22)23/h5-8H,3-4H2,1-2H3,(H,24,25,26)