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

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-N6-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-N6-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(3-pyridyl)amine Formula: C16H10ClF3N6O2 MolecularWeight: 410.73781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClF3N6O2/c17-11-4-3-9(16(18,19)20)6-12(11)25-15-13(26(27)28)14(22-8-23-15)24-10-2-1-5-21-7-10/h1-8H,(H2,22,23,24,25)