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

Systemtic Name: 5-nitro-N4-pyridin-4-yl-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(4-pyridyl)-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-pyridin-4-yl-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-pyridin-4-yl-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C16H11F3N6O3 MolecularWeight: 392.29215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C16H11F3N6O3/c17-16(18,19)28-12-3-1-10(2-4-12)23-14-13(25(26)27)15(22-9-21-14)24-11-5-7-20-8-6-11/h1-9H,(H2,20,21,22,23,24)