1-(4,6-dimethoxypyrimidin-2-yl)-3-[[2-(2-oxidanylidenepropyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]urea

Systemtic Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[2-(2-oxidanylidenepropyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]urea Openeye Name: 1-[(2-acetonyl-3H-1,2-benzothiazol-7-yl)sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea CAS Name: 1-(4,6-dimethoxy-2-pyrimidinyl)-3-[[2-(2-oxopropyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]urea IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[[2-(2-oxopropyl)-3H-1,2-benzothiazol-7-yl]sulfonyl]urea Traditional Name: 1-[(2-acetonyl-3H-1,2-benzothiazol-7-yl)sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea Formula: C17H19N5O6S2 MolecularWeight: 453.49266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1CC2=C(S1)C(=CC=C2)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CC(=O)CN1CC2=C(S1)C(=CC=C2)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C17H19N5O6S2/c1-10(23)8-22-9-11-5-4-6-12(15(11)29-22)30(25,26)21-17(24)20-16-18-13(27-2)7-14(19-16)28-3/h4-7H,8-9H2,1-3H3,(H2,18,19,20,21,24)