N6-(furan-2-ylmethyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N6-(furan-2-ylmethyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: N6-(2-furylmethyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: N6-(2-furanylmethyl)-5-nitro-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-(furan-2-ylmethyl)-5-nitro-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: 2-furfuryl-[5-nitro-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amine Formula: C16H12F3N5O3 MolecularWeight: 379.29339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-])C(F)(F)F

InChI

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