7-nitro-5-[(pyrimidin-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide

Systemtic Name: 7-nitro-5-[(pyrimidin-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 7-nitro-5-[(pyrimidin-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 7-nitro-5-[(2-pyrimidinylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 7-nitro-5-[(pyrimidin-2-ylamino)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 7-nitro-5-[(2-pyrimidylamino)methyl]-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C13H10BrN6O4- MolecularWeight: 394.1603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N6O4.BrH/c20-11-12(21)18-10-7(6-16-13-14-2-1-3-15-13)4-8(19(22)23)5-9(10)17-11;/h1-5H,6H2,(H,17,20)(H,18,21)(H,14,15,16);1H/p-1