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

Systemtic Name: 5-nitro-N4-pyridin-3-yl-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(3-pyridyl)-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(3-pyridinyl)-N6-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-pyridin-3-yl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(3-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=CN=CC=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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