[1-[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-tridecyl] pyridine-3-carboxylate

Systemtic Name: [1-[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]-2-oxidanylidene-tridecyl] pyridine-3-carboxylate Openeye Name: [1-[3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]-2-oxo-tridecyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-[3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]-2-oxotridecyl] ester IUPAC Name: [1-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-oxotridecyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [1-[5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]-2-keto-tridecyl] ester Formula: C28H39N3O7 MolecularWeight: 529.62516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=C(C(=O)NC2=O)C)O)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=C(C(=O)NC2=O)C)O)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C28H39N3O7/c1-3-4-5-6-7-8-9-10-11-14-21(32)24(38-27(35)20-13-12-15-29-17-20)25-22(33)16-23(37-25)31-18-19(2)26(34)30-28(31)36/h12-13,15,17-18,22-25,33H,3-11,14,16H2,1-2H3,(H,30,34,36)