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

Systemtic Name: 5-nitro-N4,N6-bis[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4,N6-bis[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N6-bis[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C18H11F6N5O2 MolecularWeight: 443.302659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H11F6N5O2/c19-17(20,21)10-1-5-12(6-2-10)27-15-14(29(30)31)16(26-9-25-15)28-13-7-3-11(4-8-13)18(22,23)24/h1-9H,(H2,25,26,27,28)