1-[[2-(2-bromanylethynyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea

Systemtic Name: 1-[[2-(2-bromanylethynyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Openeye Name: 1-[[2-(2-bromoethynyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea CAS Name: 1-[[2-(2-bromoethynyl)phenyl]sulfamoyl]-3-(4,6-dimethoxy-2-pyrimidinyl)urea IUPAC Name: 1-[[2-(2-bromoethynyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Traditional Name: 1-[[2-(2-bromoethynyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Formula: C15H14BrN5O5S MolecularWeight: 456.27116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)NC2=CC=CC=C2C#CBr)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)NC2=CC=CC=C2C#CBr)OC

InChI

InChI=1S/C15H14BrN5O5S/c1-25-12-9-13(26-2)18-14(17-12)19-15(22)21-27(23,24)20-11-6-4-3-5-10(11)7-8-16/h3-6,9,20H,1-2H3,(H2,17,18,19,21,22)