1-[4-[bis(fluoranyl)methoxy]-6-methyl-pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate

Systemtic Name: 1-[4-[bis(fluoranyl)methoxy]-6-methyl-pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate Openeye Name: 1-[4-(difluoromethoxy)-6-methyl-pyrimidin-2-yl]-3-sulfonyl-urea; methyl benzoate CAS Name: benzoic acid methyl ester; 1-[4-(difluoromethoxy)-6-methyl-2-pyrimidinyl]-3-sulfonylurea IUPAC Name: 1-[4-(difluoromethoxy)-6-methylpyrimidin-2-yl]-3-sulfonylurea; methyl benzoate Traditional Name: benzoic acid methyl ester; 1-[4-(difluoromethoxy)-6-methyl-pyrimidin-2-yl]-3-sulfonyl-urea Formula: C15H14F2N4O6S MolecularWeight: 416.356666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)OC(F)F.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)OC(F)F.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C8H8O2.C7H6F2N4O4S/c1-10-8(9)7-5-3-2-4-6-7;1-3-2-4(17-5(8)9)11-6(10-3)12-7(14)13-18(15)16/h2-6H,1H3;2,5H,1H3,(H,10,11,12,14)