N6-(5-bromanylpyridin-2-yl)-N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(5-bromanylpyridin-2-yl)-N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-bromo-2-pyridyl)-N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-bromo-2-pyridinyl)-N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-bromopyridin-2-yl)-4-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (5-bromo-2-pyridyl)-[6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H9BrClF3N6O2 MolecularWeight: 489.63387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrClF3N6O2/c17-9-2-4-12(22-6-9)26-15-13(27(28)29)14(23-7-24-15)25-11-5-8(16(19,20)21)1-3-10(11)18/h1-7H,(H2,22,23,24,25,26)