(phenylmethyl) 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-4-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-4-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: benzyl 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-4-thioxo-pyrimidine-5-carboxylate CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-sulfanylidene-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-4-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-2-keto-4-thioxo-pyrimidine-5-carboxylic acid benzyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=S)NC2=O)C(=O)OCC3=CC=CC=C3)CO)O

Isomeric SMILES

C1C(C(OC1N2C=C(C(=S)NC2=O)C(=O)OCC3=CC=CC=C3)CO)O

InChI

InChI=1S/C17H18N2O6S/c20-8-13-12(21)6-14(25-13)19-7-11(15(26)18-17(19)23)16(22)24-9-10-4-2-1-3-5-10/h1-5,7,12-14,20-21H,6,8-9H2,(H,18,23,26)