methyl 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C15H16N2O2S/c1-10-8-11(2)17-15(16-10)20-9-12-4-6-13(7-5-12)14(18)19-3/h4-8H,9H2,1-3H3