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

Systemtic Name: N4-methyl-5-nitro-N4-phenyl-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-methyl-5-nitro-N4-phenyl-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-methyl-5-nitro-N4-phenyl-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-5-nitro-4-N-phenyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: methyl-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-phenyl-amine Formula: C18H14F3N5O2 MolecularWeight: 389.33127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N5O2/c1-25(14-5-3-2-4-6-14)17-15(26(27)28)16(22-11-23-17)24-13-9-7-12(8-10-13)18(19,20)21/h2-11H,1H3,(H,22,23,24)