N4-(2-chloranylpyridin-3-yl)-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N4-(2-chloranylpyridin-3-yl)-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(2-chloro-3-pyridyl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(2-chloro-3-pyridinyl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-chloropyridin-3-yl)-5-nitro-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: (2-chloro-3-pyridyl)-[5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]amine Formula: C16H10ClF3N6O3 MolecularWeight: 426.73721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClF3N6O3/c17-13-11(2-1-7-21-13)25-15-12(26(27)28)14(22-8-23-15)24-9-3-5-10(6-4-9)29-16(18,19)20/h1-8H,(H2,22,23,24,25)