[(2S,3R,4R)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(pyridin-3-ylcarbonyloxy)pentyl] pyridine-3-carboxylate

Systemtic Name: [(2S,3R,4R)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(pyridin-3-ylcarbonyloxy)pentyl] pyridine-3-carboxylate Openeye Name: [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-tris(pyridine-3-carbonyloxy)pentyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-tris[oxo(3-pyridinyl)methoxy]pentyl] ester IUPAC Name: [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-tris(pyridine-3-carbonyloxy)pentyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(2S,3R,4R)-5-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)-2,3,4-trinicotinoyloxy-pentyl] ester Formula: C41H32N8O10 MolecularWeight: 796.74038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7

InChI

InChI=1S/C41H32N8O10/c1-23-15-29-30(16-24(23)2)49(35-33(46-29)36(50)48-41(55)47-35)21-31(57-38(52)26-8-4-12-43-18-26)34(59-40(54)28-10-6-14-45-20-28)32(58-39(53)27-9-5-13-44-19-27)22-56-37(51)25-7-3-11-42-17-25/h3-20,31-32,34H,21-22H2,1-2H3,(H,48,50,55)/t31-,32+,34-/m1/s1