N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C22H15BrFN5O3 MolecularWeight: 496.288603

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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=C(C=C(C=C4)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C22H15BrFN5O3/c23-14-6-11-19(18(24)12-14)28-22-20(29(30)31)21(25-13-26-22)27-15-7-9-17(10-8-15)32-16-4-2-1-3-5-16/h1-13H,(H2,25,26,27,28)