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

Systemtic Name: 6-(5-bromanyl-2-methoxy-phenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione Openeye Name: 6-(5-bromo-2-methoxy-phenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione CAS Name: 6-(5-bromo-2-methoxyphenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione IUPAC Name: 6-(5-bromo-2-methoxyphenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-dione Traditional Name: 6-(5-bromo-2-methoxy-phenyl)-8-ethyl-3-methyl-1H-pteridin-8-ium-2,4-quinone Formula: C16H16BrN4O3+ MolecularWeight: 392.22724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O3/c1-4-21-8-11(10-7-9(17)5-6-12(10)24-3)18-13-14(21)19-16(23)20(2)15(13)22/h5-8H,4H2,1-3H3/p+1