1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-oxidanylidene-3aH-2-benzofuran-4-yl)methylsulfonyl]urea

Systemtic Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-oxidanylidene-3aH-2-benzofuran-4-yl)methylsulfonyl]urea Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-oxo-3aH-isobenzofuran-4-yl)methylsulfonyl]urea CAS Name: 1-(4,6-dimethoxy-2-pyrimidinyl)-3-[(3-oxo-3aH-isobenzofuran-4-yl)methylsulfonyl]urea IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-oxo-3aH-2-benzofuran-4-yl)methylsulfonyl]urea Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-keto-3aH-isobenzofuran-4-yl)methylsulfonyl]urea Formula: C16H16N4O7S MolecularWeight: 408.38584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC3=COC(=O)C32)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC3=COC(=O)C32)OC

InChI

InChI=1S/C16H16N4O7S/c1-25-11-6-12(26-2)18-15(17-11)19-16(22)20-28(23,24)8-10-5-3-4-9-7-27-14(21)13(9)10/h3-7,13H,8H2,1-2H3,(H2,17,18,19,20,22)