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

Systemtic Name: 1-[2-(2-chloranylethynyl)phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)-1-sulfamoyl-urea Openeye Name: 1-[2-(2-chloroethynyl)phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)-1-sulfamoyl-urea CAS Name: 1-[2-(2-chloroethynyl)phenyl]-3-(4,6-dimethoxy-2-pyrimidinyl)-1-sulfamoylurea IUPAC Name: 1-[2-(2-chloroethynyl)phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)-1-sulfamoylurea Traditional Name: 1-[2-(2-chloroethynyl)phenyl]-3-(4,6-dimethoxypyrimidin-2-yl)-1-sulfamoyl-urea Formula: C15H14ClN5O5S MolecularWeight: 411.82016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)N(C2=CC=CC=C2C#CCl)S(=O)(=O)N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)N(C2=CC=CC=C2C#CCl)S(=O)(=O)N)OC

InChI

InChI=1S/C15H14ClN5O5S/c1-25-12-9-13(26-2)19-14(18-12)20-15(22)21(27(17,23)24)11-6-4-3-5-10(11)7-8-16/h3-6,9H,1-2H3,(H2,17,23,24)(H,18,19,20,22)