2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyloxy]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyloxy]ethyl pyridine-3-carboxylate Openeye Name: 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]oxyethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethoxy]ethyl ester IUPAC Name: 2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]oxyethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]oxyethyl ester Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O6/c1-20-14-13(15(24)21(2)17(20)26)22(10-19-14)9-12(23)27-6-7-28-16(25)11-4-3-5-18-8-11/h3-5,8,10H,6-7,9H2,1-2H3