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

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-N6-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-5-nitro-N6-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-5-nitro-N6-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C15H10BrFN6O2 MolecularWeight: 405.181303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)F)NC2=C(C(=NC=N2)NC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10BrFN6O2/c16-9-1-2-12(11(17)7-9)22-15-13(23(24)25)14(19-8-20-15)21-10-3-5-18-6-4-10/h1-8H,(H2,18,19,20,21,22)