6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-N-(6-methoxypyridin-3-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[2-fluoranyl-4-(trifluoromethyl)phenyl]-N-(6-methoxypyridin-3-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-3-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxy-3-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(6-methoxypyridin-3-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[2-fluoro-4-(trifluoromethyl)phenyl]-5-nitro-pyrimidin-4-yl]-(6-methoxy-3-pyridyl)amine Formula: C17H11F4N5O3 MolecularWeight: 409.294553

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])C3=C(C=C(C=C3)C(F)(F)F)F

Isomeric SMILES

COC1=NC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])C3=C(C=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C17H11F4N5O3/c1-29-13-5-3-10(7-22-13)25-16-15(26(27)28)14(23-8-24-16)11-4-2-9(6-12(11)18)17(19,20)21/h2-8H,1H3,(H,23,24,25)