N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-ethyl-6-fluoranyl-pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-ethyl-6-fluoranyl-pyrimidin-4-amine Openeye Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-ethyl-6-fluoro-pyrimidin-4-amine CAS Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-ethyl-6-fluoro-4-pyrimidinamine IUPAC Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-ethyl-6-fluoropyrimidin-4-amine Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-(5-ethyl-6-fluoro-pyrimidin-4-yl)amine Formula: C13H8ClF4N5O4 MolecularWeight: 409.680333

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=CN=C1F)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(N=CN=C1F)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H8ClF4N5O4/c1-2-5-11(15)19-4-20-12(5)21-9-7(22(24)25)3-6(13(16,17)18)8(14)10(9)23(26)27/h3-4H,2H2,1H3,(H,19,20,21)