[(2R)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl] pyridine-3-carboxylate

Systemtic Name: [(2R)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl] pyridine-3-carboxylate Openeye Name: [(2R)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2R)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-hydroxypropyl] ester IUPAC Name: [(2R)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(2R)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-hydroxy-propyl] ester Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H](COC(=O)C3=CN=CC=C3)O

InChI

InChI=1S/C16H17N5O5/c1-19-13-12(14(23)20(2)16(19)25)21(9-18-13)7-11(22)8-26-15(24)10-4-3-5-17-6-10/h3-6,9,11,22H,7-8H2,1-2H3/t11-/m1/s1