6-(benzimidazol-1-yl)-N-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzimidazol-1-yl)-N-(4-bromanyl-2-fluoranyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-(4-bromo-2-fluoro-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-(4-bromo-2-fluorophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-(4-bromo-2-fluorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-bromo-2-fluoro-phenyl)amine Formula: C17H10BrFN6O2 MolecularWeight: 429.202703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C(=NC=N3)NC4=C(C=C(C=C4)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C17H10BrFN6O2/c18-10-5-6-12(11(19)7-10)23-16-15(25(26)27)17(21-8-20-16)24-9-22-13-3-1-2-4-14(13)24/h1-9H,(H,20,21,23)