1-[[2-(2-chloroethyl)phenyl]sulfonylsulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea

Systemtic Name: 1-[[2-(2-chloroethyl)phenyl]sulfonylsulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Openeye Name: 1-[[2-(2-chloroethyl)phenyl]sulfonylsulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea CAS Name: 1-[[2-(2-chloroethyl)phenyl]sulfonylsulfamoyl]-3-(4,6-dimethoxy-2-pyrimidinyl)urea IUPAC Name: 1-[[2-(2-chloroethyl)phenyl]sulfonylsulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Traditional Name: 1-[[2-(2-chloroethyl)phenyl]sulfonylsulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Formula: C15H18ClN5O7S2 MolecularWeight: 479.91572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)NS(=O)(=O)C2=CC=CC=C2CCCl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)NS(=O)(=O)C2=CC=CC=C2CCCl)OC

InChI

InChI=1S/C15H18ClN5O7S2/c1-27-12-9-13(28-2)18-14(17-12)19-15(22)20-30(25,26)21-29(23,24)11-6-4-3-5-10(11)7-8-16/h3-6,9,21H,7-8H2,1-2H3,(H2,17,18,19,20,22)