N6-(furan-2-ylmethyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N6-(furan-2-ylmethyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(2-furylmethyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(2-furanylmethyl)-5-nitro-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(furan-2-ylmethyl)-5-nitro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: 2-furfuryl-[5-nitro-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C16H12F3N5O3 MolecularWeight: 379.29339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=COC(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N5O3/c17-16(18,19)10-3-5-11(6-4-10)23-15-13(24(25)26)14(21-9-22-15)20-8-12-2-1-7-27-12/h1-7,9H,8H2,(H2,20,21,22,23)