2-[[5-(6-methyl-2-methylsulfonyl-pyrimidin-4-yl)-1,2-dihydropyrimidin-2-yl]sulfonyl]ethanoic acid

Systemtic Name: 2-[[5-(6-methyl-2-methylsulfonyl-pyrimidin-4-yl)-1,2-dihydropyrimidin-2-yl]sulfonyl]ethanoic acid Openeye Name: 2-[[5-(6-methyl-2-methylsulfonyl-pyrimidin-4-yl)-1,2-dihydropyrimidin-2-yl]sulfonyl]acetic acid CAS Name: 2-[[5-(6-methyl-2-methylsulfonyl-4-pyrimidinyl)-1,2-dihydropyrimidin-2-yl]sulfonyl]acetic acid IUPAC Name: 2-[[5-(6-methyl-2-methylsulfonylpyrimidin-4-yl)-1,2-dihydropyrimidin-2-yl]sulfonyl]acetic acid Traditional Name: 2-[[5-(2-mesyl-6-methyl-pyrimidin-4-yl)-1,2-dihydropyrimidin-2-yl]sulfonyl]acetic acid Formula: C12H14N4O6S2 MolecularWeight: 374.39276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CNC(N=C2)S(=O)(=O)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CNC(N=C2)S(=O)(=O)CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H14N4O6S2/c1-7-3-9(16-12(15-7)23(2,19)20)8-4-13-11(14-5-8)24(21,22)6-10(17)18/h3-5,11,13H,6H2,1-2H3,(H,17,18)