5-[(3-azanyl-1H-pyrazin-4-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrobromide

Systemtic Name: 5-[(3-azanyl-1H-pyrazin-4-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrobromide Openeye Name: 5-[(3-amino-1H-pyrazin-4-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrobromide CAS Name: 5-[(3-amino-1H-pyrazin-4-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrobromide IUPAC Name: 5-[(3-amino-1H-pyrazin-4-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrobromide Traditional Name: 5-[(3-amino-1H-pyrazin-4-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone dihydrobromide Formula: C13H14Br2N6O4 MolecularWeight: 478.09606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=CN1)N)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br.Br

Isomeric SMILES

C1=CN(C(=CN1)N)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br.Br

InChI

InChI=1S/C13H12N6O4.2BrH/c14-10-5-15-1-2-18(10)6-7-3-8(19(22)23)4-9-11(7)17-13(21)12(20)16-9;;/h1-5,15H,6,14H2,(H,16,20)(H,17,21);2*1H