[5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl octanoate

Systemtic Name: [5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl octanoate Openeye Name: [5-(5-ethynyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl octanoate CAS Name: octanoic acid [5-(5-ethynyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl octanoate Traditional Name: caprylic acid [5-(5-ethynyl-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C#C)O

Isomeric SMILES

CCCCCCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C#C)O

InChI

InChI=1S/C19H26N2O6/c1-3-5-6-7-8-9-17(23)26-12-15-14(22)10-16(27-15)21-11-13(4-2)18(24)20-19(21)25/h2,11,14-16,22H,3,5-10,12H2,1H3,(H,20,24,25)