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

Systemtic Name: [5-[5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(5-ethyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(5-ethyl-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=O)NC1=O)C2CC(C(O2)COS(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCC1=CN(C(=O)NC1=O)C2CC(C(O2)COS(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C18H22N2O7S/c1-3-12-9-20(18(23)19-17(12)22)16-8-14(21)15(27-16)10-26-28(24,25)13-6-4-11(2)5-7-13/h4-7,9,14-16,21H,3,8,10H2,1-2H3,(H,19,22,23)