1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-methyl-3-sulfanylidene-1H-isoindol-4-yl)sulfonyl]urea

Systemtic Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-methyl-3-sulfanylidene-1H-isoindol-4-yl)sulfonyl]urea Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-methyl-3-thioxo-isoindolin-4-yl)sulfonyl-urea CAS Name: 1-(4,6-dimethoxy-2-pyrimidinyl)-3-[(2-methyl-3-sulfanylidene-1H-isoindol-4-yl)sulfonyl]urea IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[(2-methyl-3-sulfanylidene-1H-isoindol-4-yl)sulfonyl]urea Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-methyl-3-thioxo-isoindolin-4-yl)sulfonyl-urea Formula: C16H17N5O5S2 MolecularWeight: 423.46668

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C1=S)C(=CC=C2)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CN1CC2=C(C1=S)C(=CC=C2)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C16H17N5O5S2/c1-21-8-9-5-4-6-10(13(9)14(21)27)28(23,24)20-16(22)19-15-17-11(25-2)7-12(18-15)26-3/h4-7H,8H2,1-3H3,(H2,17,18,19,20,22)