5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine Openeye Name: 5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine CAS Name: 5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-nitro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine Traditional Name: (2-amino-5-nitro-pyrimidin-4-yl)-[3-(trifluoromethyl)phenyl]amine Formula: C11H8F3N5O2 MolecularWeight: 299.20873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC=C2[N+](=O)[O-])N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC=C2[N+](=O)[O-])N)C(F)(F)F

InChI

InChI=1S/C11H8F3N5O2/c12-11(13,14)6-2-1-3-7(4-6)17-9-8(19(20)21)5-16-10(15)18-9/h1-5H,(H3,15,16,17,18)