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

Systemtic Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(4-phenoxyphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C23H16F3N5O3 MolecularWeight: 467.40005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H16F3N5O3/c24-23(25,26)15-6-8-16(9-7-15)29-21-20(31(32)33)22(28-14-27-21)30-17-10-12-19(13-11-17)34-18-4-2-1-3-5-18/h1-14H,(H2,27,28,29,30)