5-nitro-N4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-[(E)-[2-(trifluoromethyl)phenyl]methyleneamino]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-[(E)-[2-(trifluoromethyl)benzylidene]amino]amine Formula: C12H9F3N6O2 MolecularWeight: 326.23407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N6O2/c13-12(14,15)8-4-2-1-3-7(8)5-19-20-11-9(21(22)23)10(16)17-6-18-11/h1-6H,(H3,16,17,18,20)/b19-5+