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

Systemtic Name: N4-(3-bromophenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-5-nitro-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-5-nitro-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C17H11BrF3N5O2 MolecularWeight: 454.20075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrF3N5O2/c18-11-4-2-6-13(8-11)25-16-14(26(27)28)15(22-9-23-16)24-12-5-1-3-10(7-12)17(19,20)21/h1-9H,(H2,22,23,24,25)