N4-(2-fluorophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-fluorophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-fluorophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(2-fluorophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-fluorophenyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(2-fluoroanilino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C22H16FN5O3 MolecularWeight: 417.392543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C22H16FN5O3/c23-18-8-4-5-9-19(18)27-22-20(28(29)30)21(24-14-25-22)26-15-10-12-17(13-11-15)31-16-6-2-1-3-7-16/h1-14H,(H2,24,25,26,27)