6,7-dimethyl-3-oxidanylidene-4-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]quinoxaline-2-carboxamide

Systemtic Name: 6,7-dimethyl-3-oxidanylidene-4-[(2S,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]quinoxaline-2-carboxamide Openeye Name: 6,7-dimethyl-3-oxo-4-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]quinoxaline-2-carboxamide CAS Name: 6,7-dimethyl-3-oxo-4-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2-quinoxalinecarboxamide IUPAC Name: 6,7-dimethyl-3-oxo-4-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]quinoxaline-2-carboxamide Traditional Name: 3-keto-6,7-dimethyl-4-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]quinoxaline-2-carboxamide Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=O)C(=N2)C(=O)N)CC(C(C(CO)O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=O)C(=N2)C(=O)N)C[C@@H]([C@@H]([C@@H](CO)O)O)O

InChI

InChI=1S/C16H21N3O6/c1-7-3-9-10(4-8(7)2)19(16(25)13(18-9)15(17)24)5-11(21)14(23)12(22)6-20/h3-4,11-12,14,20-23H,5-6H2,1-2H3,(H2,17,24)/t11-,12+,14-/m0/s1