[1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-3-[methyl(pyridin-3-ylcarbonyl)amino]propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-3-[methyl(pyridin-3-ylcarbonyl)amino]propan-2-yl] pyridine-3-carboxylate Openeye Name: [1-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-2-[methyl(pyridine-3-carbonyl)amino]ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(1,3-dimethyl-2,6-dioxo-7-purinyl)-3-[methyl-[oxo(3-pyridinyl)methyl]amino]propan-2-yl] ester IUPAC Name: [1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[methyl(pyridine-3-carbonyl)amino]propan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [1-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-2-[methyl(nicotinoyl)amino]ethyl] ester Formula: C23H23N7O5 MolecularWeight: 477.47262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H23N7O5/c1-27(20(31)15-6-4-8-24-10-15)12-17(35-22(33)16-7-5-9-25-11-16)13-30-14-26-19-18(30)21(32)29(3)23(34)28(19)2/h4-11,14,17H,12-13H2,1-3H3