N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C16H9ClF3N7O4 MolecularWeight: 455.73537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H9ClF3N7O4/c17-11-4-8(16(18,19)20)6-21-13(11)25-15-12(27(30)31)14(22-7-23-15)24-9-2-1-3-10(5-9)26(28)29/h1-7H,(H2,21,22,23,24,25)