[(2R,3S,4S)-5-[7,8-dimethyl-1,3-bis(oxidanylidene)pyrido[4,3-b]quinoxalin-5-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

Systemtic Name: [(2R,3S,4S)-5-[7,8-dimethyl-1,3-bis(oxidanylidene)pyrido[4,3-b]quinoxalin-5-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate Openeye Name: [(2R,3S,4S)-5-(7,8-dimethyl-1,3-dioxo-pyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate CAS Name: [(2R,3S,4S)-5-(7,8-dimethyl-1,3-dioxo-5-pyrido[4,3-b]quinoxalinyl)-2,3,4-trihydroxypentyl] dihydrogen phosphate IUPAC Name: [(2R,3S,4S)-5-(7,8-dimethyl-1,3-dioxopyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate Traditional Name: [(2R,3S,4S)-5-(1,3-diketo-7,8-dimethyl-pyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate Formula: C18H22N3O9P MolecularWeight: 455.355741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=CC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=CC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O

InChI

InChI=1S/C18H22N3O9P/c1-8-3-10-11(4-9(8)2)21(12-5-15(24)20-18(26)16(12)19-10)6-13(22)17(25)14(23)7-30-31(27,28)29/h3-5,13-14,17,22-23,25H,6-7H2,1-2H3,(H,20,24,26)(H2,27,28,29)/t13-,14+,17-/m0/s1