(4,6-dimethylpyrimidin-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (4,6-dimethylpyrimidin-2-yl) 4-methylbenzenesulfonate Openeye Name: (4,6-dimethylpyrimidin-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: (4,6-dimethylpyrimidin-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,6-dimethylpyrimidin-2-yl) ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=CC(=N2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C13H14N2O3S/c1-9-4-6-12(7-5-9)19(16,17)18-13-14-10(2)8-11(3)15-13/h4-8H,1-3H3