Methyl 3-({2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl}amino)-2,6-dimethoxybenzoate

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Systematic / IUPAC Name: Methyl 3-({[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}amino)-2,6-dimethoxybenzoate

ID: Reference7052

Other Names: Benzoic acid, 3-({2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl}amino)-2,6-dimethoxy-, methyl ester ;
Methyl 3-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-2,6-dimethoxybenzoate

Formula: C18H21N3O5S

Spectral Data

Methyl 3-({2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl}amino)-2,6-dimethoxybenzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/20/2017 12:42:09 PM
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Identificators

InChI InChI=1S/C18H21N3O5S/c1-10-8-11(2)20-18(19-10)27-9-14(22)21-12-6-7-13(24-3)15(16(12)25-4)17(23)26-5/h6-8H,9H2,1-5H3,(H,21,22)
InChI Key WPFQIXFXOSWVIE-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(C=C2)OC)C(=O)OC)OC)C
CAS
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Other Names Benzoic acid, 3-({2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl}amino)-2,6-dimethoxy-, methyl ester ;
Methyl 3-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}-2,6-dimethoxybenzoate

In Other Databases

ChemSpider 2080189
PubChem 2801479