4-(3-tert-butylphenoxy)-6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-2-methyl-pyrimidin-5-amine

Systemtic Name: 4-(3-tert-butylphenoxy)-6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-2-methyl-pyrimidin-5-amine Openeye Name: 4-(3-tert-butylphenoxy)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-pyrimidin-5-amine CAS Name: 4-(3-tert-butylphenoxy)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-5-pyrimidinamine IUPAC Name: 4-(3-tert-butylphenoxy)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpyrimidin-5-amine Traditional Name: [4-(3-tert-butylphenoxy)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-pyrimidin-5-yl]amine Formula: C22H21F4N3O MolecularWeight: 419.415253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OC2=CC=CC(=C2)C(C)(C)C)N)C3=C(C=C(C=C3)C(F)(F)F)F

Isomeric SMILES

CC1=NC(=C(C(=N1)OC2=CC=CC(=C2)C(C)(C)C)N)C3=C(C=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C22H21F4N3O/c1-12-28-19(16-9-8-14(11-17(16)23)22(24,25)26)18(27)20(29-12)30-15-7-5-6-13(10-15)21(2,3)4/h5-11H,27H2,1-4H3