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

Systemtic Name: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-chloro-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-chloro-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H15ClN2O6 MolecularWeight: 366.7531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)Cl)O

InChI

InChI=1S/C16H15ClN2O6/c17-12-13(21)10(8-24-15(22)9-4-2-1-3-5-9)25-14(12)19-7-6-11(20)18-16(19)23/h1-7,10,12-14,21H,8H2,(H,18,20,23)