2-[[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-pyridin-3-ylcarbonyloxy-propyl]-ethyl-amino]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-pyridin-3-ylcarbonyloxy-propyl]-ethyl-amino]ethyl pyridine-3-carboxylate Openeye Name: 2-[[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-(pyridine-3-carbonyloxy)propyl]-ethyl-amino]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-[oxo(3-pyridinyl)methoxy]propyl]-ethylamino]ethyl ester IUPAC Name: 2-[[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(pyridine-3-carbonyloxy)propyl]-ethylamino]ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-nicotinoyloxy-propyl]-ethyl-amino]ethyl ester Formula: C26H29N7O6 MolecularWeight: 535.55176

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC(=O)C1=CN=CC=C1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CCN(CCOC(=O)C1=CN=CC=C1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H29N7O6/c1-4-32(11-12-38-24(35)18-7-5-9-27-13-18)15-20(39-25(36)19-8-6-10-28-14-19)16-33-17-29-22-21(33)23(34)31(3)26(37)30(22)2/h5-10,13-14,17,20H,4,11-12,15-16H2,1-3H3