N4,N4-dimethyl-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N4,N4-dimethyl-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4,N4-dimethyl-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4,N4-dimethyl-5-nitro-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dimethyl-5-nitro-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: dimethyl-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C13H12F3N5O2 MolecularWeight: 327.26189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3N5O2/c1-20(2)12-10(21(22)23)11(17-7-18-12)19-9-5-3-8(4-6-9)13(14,15)16/h3-7H,1-2H3,(H,17,18,19)