5-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide

Systemtic Name: 5-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-[[(5-bromopyrimidin-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 5-[[(5-bromo-2-pyrimidinyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-[[(5-bromopyrimidin-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 5-[[(5-bromopyrimidin-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C13H10Br2N6O4 MolecularWeight: 474.0643

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNC3=NC=C(C=N3)Br)[N+](=O)[O-].Br

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNC3=NC=C(C=N3)Br)[N+](=O)[O-].Br

InChI

InChI=1S/C13H9BrN6O4.BrH/c14-7-4-16-13(17-5-7)15-3-6-1-8(20(23)24)2-9-10(6)19-12(22)11(21)18-9;/h1-2,4-5H,3H2,(H,18,21)(H,19,22)(H,15,16,17);1H