N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]methylamino]-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[5-nitro-6-[[3-(trifluoromethyl)benzyl]amino]pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C19H20F3N7O4 MolecularWeight: 467.40181

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C19H20F3N7O4/c20-19(21,22)12-4-1-3-11(7-12)8-24-16-15(29(32)33)17(27-10-26-16)28-6-2-5-13(28)18(31)25-9-14(23)30/h1,3-4,7,10,13H,2,5-6,8-9H2,(H2,23,30)(H,25,31)(H,24,26,27)