5-nitro-6-(4-propan-2-ylphenoxy)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C20H17F3N4O3 MolecularWeight: 418.36919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O3/c1-12(2)13-6-8-16(9-7-13)30-19-17(27(28)29)18(24-11-25-19)26-15-5-3-4-14(10-15)20(21,22)23/h3-12H,1-2H3,(H,24,25,26)