4-butyl-6-imidazol-1-yl-7-(methylamino)-1H-quinoxaline-2,3-dione sulfate

Systemtic Name: 4-butyl-6-imidazol-1-yl-7-(methylamino)-1H-quinoxaline-2,3-dione sulfate Openeye Name: 4-butyl-6-imidazol-1-yl-7-(methylamino)-1H-quinoxaline-2,3-dione sulfate CAS Name: 4-butyl-6-(1-imidazolyl)-7-(methylamino)-1H-quinoxaline-2,3-dione sulfate IUPAC Name: 4-butyl-6-imidazol-1-yl-7-(methylamino)-1H-quinoxaline-2,3-dione sulfate Traditional Name: 4-butyl-6-imidazol-1-yl-7-(methylamino)-1H-quinoxaline-2,3-quinone sulfate Formula: C16H19N5O6S-2 MolecularWeight: 409.41696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2NC(=O)C1=O)NC)N3C=CN=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2NC(=O)C1=O)NC)N3C=CN=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H19N5O2.H2O4S/c1-3-4-6-21-14-9-13(20-7-5-18-10-20)11(17-2)8-12(14)19-15(22)16(21)23;1-5(2,3)4/h5,7-10,17H,3-4,6H2,1-2H3,(H,19,22);(H2,1,2,3,4)/p-2