(2S,3S,4S,5R,6R)-6-[(3,8-dimethylimidazo[4,5-f]quinoxalin-2-yl)amino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-6-[(3,8-dimethylimidazo[4,5-f]quinoxalin-2-yl)amino]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[(3,8-dimethylimidazo[4,5-f]quinoxalin-2-yl)amino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[(3,8-dimethyl-2-imidazo[4,5-f]quinoxalinyl)amino]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[(3,8-dimethylimidazo[4,5-f]quinoxalin-2-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-6-[(3,8-dimethylimidazo[4,5-f]quinoxalin-2-yl)amino]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C17H19N5O6 MolecularWeight: 389.36266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)NC4C(C(C(C(O4)C(=O)O)O)O)O

Isomeric SMILES

CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

InChI

InChI=1S/C17H19N5O6/c1-6-5-18-7-3-4-8-10(9(7)19-6)20-17(22(8)2)21-15-13(25)11(23)12(24)14(28-15)16(26)27/h3-5,11-15,23-25H,1-2H3,(H,20,21)(H,26,27)/t11-,12-,13+,14-,15+/m0/s1