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

Systemtic Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid 3-[(4,6-dimethyl-2-pyrimidinyl)amino]propyl ester IUPAC Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid 3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl ester Formula: C18H17F6N3O2 MolecularWeight: 421.336899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F6N3O2/c1-10-6-11(2)27-16(26-10)25-4-3-5-29-15(28)12-7-13(17(19,20)21)9-14(8-12)18(22,23)24/h6-9H,3-5H2,1-2H3,(H,25,26,27)