[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-2-(4-oxidanylidenepentanoyloxymethyl)oxolan-3-yl] benzoate

Systemtic Name: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-2-(4-oxidanylidenepentanoyloxymethyl)oxolan-3-yl] benzoate Openeye Name: [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(4-oxopentanoyloxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [2-(1,4-dioxopentoxymethyl)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-oxolanyl] ester IUPAC Name: [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(4-oxopentanoyloxymethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-(4-ketopentanoyloxymethyl)tetrahydrofuran-3-yl] ester Formula: C21H22N2O9 MolecularWeight: 446.40738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CCC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O9/c1-12(24)7-8-16(26)30-11-14-18(32-20(28)13-5-3-2-4-6-13)17(27)19(31-14)23-10-9-15(25)22-21(23)29/h2-6,9-10,14,17-19,27H,7-8,11H2,1H3,(H,22,25,29)