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

Systemtic Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-1-methyl-ethyl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-methoxypropan-2-yl)-5-nitro-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]amine Formula: C15H16F3N5O4 MolecularWeight: 387.31385

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C15H16F3N5O4/c1-9(7-26-2)21-13-12(23(24)25)14(20-8-19-13)22-10-3-5-11(6-4-10)27-15(16,17)18/h3-6,8-9H,7H2,1-2H3,(H2,19,20,21,22)