6-(benzimidazol-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzimidazol-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-(3-bromophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-(3-bromophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-(3-bromophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C17H11BrN6O2 MolecularWeight: 411.21224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrN6O2/c18-11-4-3-5-12(8-11)22-16-15(24(25)26)17(20-9-19-16)23-10-21-13-6-1-2-7-14(13)23/h1-10H,(H,19,20,22)