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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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