5-fluoranyl-1H-pyrimidine-2,4-dione; 3-methanoylbenzenesulfonate

Systemtic Name: 5-fluoranyl-1H-pyrimidine-2,4-dione; 3-methanoylbenzenesulfonate Openeye Name: 5-fluoro-1H-pyrimidine-2,4-dione; 3-formylbenzenesulfonate CAS Name: 5-fluoro-1H-pyrimidine-2,4-dione; 3-formylbenzenesulfonate IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione; 3-formylbenzenesulfonate Traditional Name: 5-fluorouracil; 3-formylbesylate Formula: C11H8FN2O6S- MolecularWeight: 315.254423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C=O.C1=C(C(=O)NC(=O)N1)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C=O.C1=C(C(=O)NC(=O)N1)F

InChI

InChI=1S/C7H6O4S.C4H3FN2O2/c8-5-6-2-1-3-7(4-6)12(9,10)11;5-2-1-6-4(9)7-3(2)8/h1-5H,(H,9,10,11);1H,(H2,6,7,8,9)/p-1