(5-methyl-4H-pyrimidin-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-methyl-4H-pyrimidin-3-yl) 4-methylbenzenesulfonate Openeye Name: (5-methyl-4H-pyrimidin-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-methyl-4H-pyrimidin-3-yl) ester IUPAC Name: (5-methyl-4H-pyrimidin-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-methyl-4H-pyrimidin-3-yl) ester Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CN(C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CN=CN(C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C12H14N2O3S/c1-10-3-5-12(6-4-10)18(15,16)17-14-8-11(2)7-13-9-14/h3-7,9H,8H2,1-2H3