4-[[5-[(4-fluorophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[5-[(4-fluorophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[5-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonic acid CAS Name: 4-[[5-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonic acid IUPAC Name: 4-[[5-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[5-(4-fluorobenzyl)-4-hydroxy-6-keto-1H-pyrimidin-2-yl]amino]besylic acid Formula: C17H14FN3O5S MolecularWeight: 391.373563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(N=C(NC2=O)NC3=CC=C(C=C3)S(=O)(=O)O)O)F

Isomeric SMILES

C1=CC(=CC=C1CC2=C(N=C(NC2=O)NC3=CC=C(C=C3)S(=O)(=O)O)O)F

InChI

InChI=1S/C17H14FN3O5S/c18-11-3-1-10(2-4-11)9-14-15(22)20-17(21-16(14)23)19-12-5-7-13(8-6-12)27(24,25)26/h1-8H,9H2,(H,24,25,26)(H3,19,20,21,22,23)