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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3)Cl

InChI

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