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

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: [2-chloro-5-(trifluoromethyl)phenyl]-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C20H16ClF3N4O3 MolecularWeight: 452.81425

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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=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClF3N4O3/c1-11(2)12-3-6-14(7-4-12)31-19-17(28(29)30)18(25-10-26-19)27-16-9-13(20(22,23)24)5-8-15(16)21/h3-11H,1-2H3,(H,25,26,27)