N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(m-tolyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-5-nitro-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C20H18F3N5O2 MolecularWeight: 417.38443

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O2/c1-3-27(16-9-4-6-13(2)10-16)19-17(28(29)30)18(24-12-25-19)26-15-8-5-7-14(11-15)20(21,22)23/h4-12H,3H2,1-2H3,(H,24,25,26)