N2-methyl-5-nitro-N2-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: N2-methyl-5-nitro-N2-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: N2-methyl-5-nitro-N2-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: N2-methyl-5-nitro-N2-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-methyl-5-nitro-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-pyrimidin-2-yl)-methyl-[4-(trifluoromethyl)benzyl]amine Formula: C13H12F3N5O2 MolecularWeight: 327.26189

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(F)(F)F)C2=NC=C(C(=N2)N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(F)(F)F)C2=NC=C(C(=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N5O2/c1-20(12-18-6-10(21(22)23)11(17)19-12)7-8-2-4-9(5-3-8)13(14,15)16/h2-6H,7H2,1H3,(H2,17,18,19)