1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-phenylethynyl)phenyl]sulfonyl-urea

Systemtic Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-phenylethynyl)phenyl]sulfonyl-urea Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-phenylethynyl)phenyl]sulfonyl-urea CAS Name: 1-(4,6-dimethoxy-2-pyrimidinyl)-3-[2-(2-phenylethynyl)phenyl]sulfonylurea IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-phenylethynyl)phenyl]sulfonylurea Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-phenylethynyl)phenyl]sulfonyl-urea Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C#CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C#CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H18N4O5S/c1-29-18-14-19(30-2)23-20(22-18)24-21(26)25-31(27,28)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h3-11,14H,1-2H3,(H2,22,23,24,25,26)