5-(6-bromanyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate

Systemtic Name: 5-(6-bromanyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate Openeye Name: 5-(6-bromo-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)-2,4-dioxo-1H-pyrimidin-6-olate CAS Name: 5-(6-bromo-3-ethyl-2-methyl-1-benzimidazol-3-iumyl)-2,4-dioxo-1H-pyrimidin-6-olate IUPAC Name: 5-(6-bromo-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)-2,4-dioxo-1H-pyrimidin-6-olate Traditional Name: 5-(6-bromo-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)-2,4-diketo-1H-pyrimidin-6-olate Formula: C14H13BrN4O3 MolecularWeight: 365.18202

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)Br)C3=C(NC(=O)NC3=O)[O-])C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)Br)C3=C(NC(=O)NC3=O)[O-])C

InChI

InChI=1S/C14H13BrN4O3/c1-3-18-7(2)19(10-6-8(15)4-5-9(10)18)11-12(20)16-14(22)17-13(11)21/h4-6H,3H2,1-2H3,(H2-,16,17,20,21,22)