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

Systemtic Name: 5-nitro-N6-(2-thiophen-2-ylethyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-[2-(2-thienyl)ethyl]-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(2-thiophen-2-ylethyl)-N4-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(2-thiophen-2-ylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C17H14F3N5O2S MolecularWeight: 409.38557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H14F3N5O2S/c18-17(19,20)11-3-1-4-12(9-11)24-16-14(25(26)27)15(22-10-23-16)21-7-6-13-5-2-8-28-13/h1-5,8-10H,6-7H2,(H2,21,22,23,24)