[2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] benzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] benzenesulfonate Openeye Name: [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester IUPAC Name: [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C16H18N2O7S MolecularWeight: 382.38832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N2O7S/c1-10-8-18(16(21)17-15(10)20)14-7-12(13(9-19)24-14)25-26(22,23)11-5-3-2-4-6-11/h2-6,8,12-14,19H,7,9H2,1H3,(H,17,20,21)