6-(4-bromanylthiophen-2-yl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione

Systemtic Name: 6-(4-bromanylthiophen-2-yl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione Openeye Name: 6-(4-bromo-2-thienyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione CAS Name: 6-(4-bromo-2-thiophenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione IUPAC Name: 6-(4-bromothiophen-2-yl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione Traditional Name: 6-(4-bromo-2-thienyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-quinone Formula: C13H12BrN4O2S+ MolecularWeight: 368.22898

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C(=NC(=C1)C3=CC(=CS3)Br)C(=O)N(C(=O)N2)C

Isomeric SMILES

CC[N+]1=C2C(=NC(=C1)C3=CC(=CS3)Br)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C13H11BrN4O2S/c1-3-18-5-8(9-4-7(14)6-21-9)15-10-11(18)16-13(20)17(2)12(10)19/h4-6H,3H2,1-2H3/p+1