4-tert-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine

Systemtic Name: 4-tert-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine Openeye Name: 4-tert-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine CAS Name: 4-tert-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: 4-tert-butyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C16H13F6N5O4 MolecularWeight: 453.295939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H13F6N5O4/c1-14(2,3)10-6-11(16(20,21)22)24-13(23-10)25-12-8(26(28)29)4-7(15(17,18)19)5-9(12)27(30)31/h4-6H,1-3H3,(H,23,24,25)