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

Systemtic Name: 5-[[(4-methylpyrimidin-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-[[(4-methylpyrimidin-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 5-[[(4-methyl-2-pyrimidinyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-[[(4-methylpyrimidin-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 5-[[(4-methylpyrimidin-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C14H13BrN6O4 MolecularWeight: 409.19482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br

Isomeric SMILES

CC1=NC(=NC=C1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br

InChI

InChI=1S/C14H12N6O4.BrH/c1-7-2-3-15-14(17-7)16-6-8-4-9(20(23)24)5-10-11(8)19-13(22)12(21)18-10;/h2-5H,6H2,1H3,(H,18,21)(H,19,22)(H,15,16,17);1H