6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-N-[3-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C16H13F3N6O2 MolecularWeight: 378.30863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H13F3N6O2/c1-9-6-10(2)24(23-9)15-13(25(26)27)14(20-8-21-15)22-12-5-3-4-11(7-12)16(17,18)19/h3-8H,1-2H3,(H,20,21,22)