1-(4,6-dimethoxypyrimidin-2-yl)urea; methyl 2-(sulfonylmethyl)benzoate

Systemtic Name: 1-(4,6-dimethoxypyrimidin-2-yl)urea; methyl 2-(sulfonylmethyl)benzoate Openeye Name: (4,6-dimethoxypyrimidin-2-yl)urea; methyl 2-(sulfonylmethyl)benzoate CAS Name: (4,6-dimethoxy-2-pyrimidinyl)urea; 2-(sulfonylmethyl)benzoic acid methyl ester IUPAC Name: (4,6-dimethoxypyrimidin-2-yl)urea; methyl 2-(sulfonylmethyl)benzoate Traditional Name: (4,6-dimethoxypyrimidin-2-yl)urea; 2-(sulfonylmethyl)benzoic acid methyl ester Formula: C16H18N4O7S MolecularWeight: 410.40172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)N)OC.COC(=O)C1=CC=CC=C1C=S(=O)=O

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)N)OC.COC(=O)C1=CC=CC=C1C=S(=O)=O

InChI

InChI=1S/C9H8O4S.C7H10N4O3/c1-13-9(10)8-5-3-2-4-7(8)6-14(11)12;1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h2-6H,1H3;3H,1-2H3,(H3,8,9,10,11,12)