1-(4,6-dimethylpyrimidin-2-yl)-3-sulfonyl-urea; oxetan-2-yl benzoate

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-sulfonyl-urea; oxetan-2-yl benzoate Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-sulfonyl-urea; oxetan-2-yl benzoate CAS Name: benzoic acid 2-oxetanyl ester; 1-(4,6-dimethyl-2-pyrimidinyl)-3-sulfonylurea IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-sulfonylurea; oxetan-2-yl benzoate Traditional Name: benzoic acid oxetan-2-yl ester; 1-(4,6-dimethylpyrimidin-2-yl)-3-sulfonyl-urea Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)C.C1COC1OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)C.C1COC1OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H10O3.C7H8N4O3S/c11-10(13-9-6-7-12-9)8-4-2-1-3-5-8;1-4-3-5(2)9-6(8-4)10-7(12)11-15(13)14/h1-5,9H,6-7H2;3H,1-2H3,(H,8,9,10,12)