6-(5-bromanyl-2-fluoranyl-phenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione

Systemtic Name: 6-(5-bromanyl-2-fluoranyl-phenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione Openeye Name: 6-(5-bromo-2-fluoro-phenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione CAS Name: 6-(5-bromo-2-fluorophenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione IUPAC Name: 6-(5-bromo-2-fluorophenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione Traditional Name: 6-(5-bromo-2-fluoro-phenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-quinone Formula: C15H13BrFN4O2+ MolecularWeight: 380.191723

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=NC(=C1)C3=C(C=CC(=C3)Br)F)C(=O)N(C(=O)N2)C

Isomeric SMILES

CC[N+]1=C2C(=NC(=C1)C3=C(C=CC(=C3)Br)F)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C15H12BrFN4O2/c1-3-21-7-11(9-6-8(16)4-5-10(9)17)18-12-13(21)19-15(23)20(2)14(12)22/h4-7H,3H2,1-2H3/p+1