5-nitro-6-(2-phenylhydrazinyl)-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(2-phenylhydrazinyl)-N-[4-(trifluoromethyloxy)phenyl]pyrimidin-4-amine Openeye Name: 5-nitro-6-(2-phenylhydrazino)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(phenylhydrazo)-N-[4-(trifluoromethoxy)phenyl]-4-pyrimidinamine IUPAC Name: 5-nitro-6-(2-phenylhydrazinyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine Traditional Name: [5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]-[4-(trifluoromethoxy)phenyl]amine Formula: C17H13F3N6O3 MolecularWeight: 406.31873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C17H13F3N6O3/c18-17(19,20)29-13-8-6-11(7-9-13)23-15-14(26(27)28)16(22-10-21-15)25-24-12-4-2-1-3-5-12/h1-10,24H,(H2,21,22,23,25)