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

Systemtic Name: 4-butyl-7-(dimethylamino)-6-imidazol-1-yl-1H-quinoxaline-2,3-dione sulfate Openeye Name: 4-butyl-7-(dimethylamino)-6-imidazol-1-yl-1H-quinoxaline-2,3-dione sulfate CAS Name: 4-butyl-7-(dimethylamino)-6-(1-imidazolyl)-1H-quinoxaline-2,3-dione sulfate IUPAC Name: 4-butyl-7-(dimethylamino)-6-imidazol-1-yl-1H-quinoxaline-2,3-dione sulfate Traditional Name: 4-butyl-7-(dimethylamino)-6-imidazol-1-yl-1H-quinoxaline-2,3-quinone sulfate Formula: C17H21N5O6S-2 MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2.H2O4S/c1-4-5-7-22-13-10-15(21-8-6-18-11-21)14(20(2)3)9-12(13)19-16(23)17(22)24;1-5(2,3)4/h6,8-11H,4-5,7H2,1-3H3,(H,19,23);(H2,1,2,3,4)/p-2