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

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-N6-[4-(trifluoromethyloxy)phenyl]pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N4-(2-pyridyl)-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)-N6-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-4-N-pyridin-2-yl-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]-(2-pyridyl)amine Formula: C23H17F3N6O3 MolecularWeight: 482.41469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C23H17F3N6O3/c24-23(25,26)35-18-11-9-17(10-12-18)30-21-20(32(33)34)22(29-15-28-21)31(19-8-4-5-13-27-19)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,28,29,30)