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

Systemtic Name: N-[3-chloranyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-4,6-dimethyl-pyrimidin-2-amine Openeye Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4,6-dimethyl-pyrimidin-2-amine CAS Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4,6-dimethyl-2-pyrimidinamine IUPAC Name: N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-4,6-dimethylpyrimidin-2-amine Traditional Name: [3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C13H9ClF3N5O4 MolecularWeight: 391.68987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C13H9ClF3N5O4/c1-5-3-6(2)19-12(18-5)20-10-8(21(23)24)4-7(13(15,16)17)9(14)11(10)22(25)26/h3-4H,1-2H3,(H,18,19,20)