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

Systemtic Name: phenyl 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-4-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C16H16N2O6S MolecularWeight: 364.37304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=S)NC2=O)C(=O)OC3=CC=CC=C3)CO)O

Isomeric SMILES

C1C(C(OC1N2C=C(C(=S)NC2=O)C(=O)OC3=CC=CC=C3)CO)O

InChI

InChI=1S/C16H16N2O6S/c19-8-12-11(20)6-13(24-12)18-7-10(14(25)17-16(18)22)15(21)23-9-4-2-1-3-5-9/h1-5,7,11-13,19-20H,6,8H2,(H,17,22,25)