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

Systemtic Name: 5-nitro-N6-pyridin-4-yl-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(4-pyridyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-pyridin-4-yl-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C16H11F3N6O2 MolecularWeight: 376.29275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N6O2/c17-16(18,19)10-2-1-3-12(8-10)24-15-13(25(26)27)14(21-9-22-15)23-11-4-6-20-7-5-11/h1-9H,(H2,20,21,22,23,24)