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

Systemtic Name: 5-nitro-N4-(3-nitrophenyl)-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(3-nitrophenyl)-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(3-nitrophenyl)-N6-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(3-nitrophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C17H11F3N6O4 MolecularWeight: 420.30225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H11F3N6O4/c18-17(19,20)10-4-6-11(7-5-10)23-15-14(26(29)30)16(22-9-21-15)24-12-2-1-3-13(8-12)25(27)28/h1-9H,(H2,21,22,23,24)