[5-[7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] phosphono hydrogen phosphate

Systemtic Name: [5-[7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] phosphono hydrogen phosphate Openeye Name: [5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentyl] phosphono hydrogen phosphate CAS Name: [5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentyl] phosphono hydrogen phosphate IUPAC Name: [5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentyl] phosphono hydrogen phosphate Traditional Name: [5-(2,4-diketo-7,8-dimethyl-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentyl] phosphono hydrogen phosphate Formula: C17H23N4O12P2+ MolecularWeight: 537.331642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=C3C(=N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)O)O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=C3C(=N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)O)O)O)O

InChI

InChI=1S/C17H22N4O12P2/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-32-35(30,31)33-34(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H4,20,25,26,27,28,29,30,31)/p+1