N6-(2-fluorophenyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-fluorophenyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-fluorophenyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(2-fluorophenyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2-fluorophenyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(2-fluoroanilino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H17FN6O2 MolecularWeight: 416.407783

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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=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4F

InChI

InChI=1S/C22H17FN6O2/c23-17-10-4-5-11-18(17)27-21-20(29(30)31)22(26-15-25-21)28(19-12-6-7-13-24-19)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,25,26,27)