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

Systemtic Name: [5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-(5-ethynyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid [5-(5-ethynyl-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C#CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C18H16N2O6/c1-2-11-9-20(18(24)19-16(11)22)15-8-13(21)14(26-15)10-25-17(23)12-6-4-3-5-7-12/h1,3-7,9,13-15,21H,8,10H2,(H,19,22,24)