N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine

Systemtic Name: N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(5-methylisoxazol-3-yl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(5-methyl-3-isoxazolyl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: (5-methylisoxazol-3-yl)-[5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]amine Formula: C15H11F3N6O4 MolecularWeight: 396.28085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C15H11F3N6O4/c1-8-6-11(23-28-8)22-14-12(24(25)26)13(19-7-20-14)21-9-2-4-10(5-3-9)27-15(16,17)18/h2-7H,1H3,(H2,19,20,21,22,23)