3-[(4-Chlorophenyl)sulfonyl]-4-[(2,6-dimethylpyrimidin-4-yl)amino]but-3-en-2-one

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Systematic / IUPAC Name: 3-[(4-Chlorophenyl)sulfonyl]-4-[(2,6-dimethyl-4-pyrimidinyl)amino]-3-buten-2-one

ID: Reference7033

Other Names: 3-Buten-2-one, 3-[(4-chlorophenyl)sulfonyl]-4-[(2,6-dimethyl-4-pyrimidinyl)amino]-

Formula: C16H16ClN3O3S

Spectral Data

3-[(4-Chlorophenyl)sulfonyl]-4-[(2,6-dimethylpyrimidin-4-yl)amino]but-3-en-2-one 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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2017 11:38:50 AM
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Identificators

InChI InChI=1S/C16H16ClN3O3S/c1-10-8-16(20-12(3)19-10)18-9-15(11(2)21)24(22,23)14-6-4-13(17)5-7-14/h4-9H,1-3H3,(H,18,19,20)/b15-9+
InChI Key GBGURCRXAPXCOJ-OQLLNIDSSA-N
Canonical SMILES CC1=CC(=NC(=N1)C)NC=C(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl
CAS
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Other Names 3-Buten-2-one, 3-[(4-chlorophenyl)sulfonyl]-4-[(2,6-dimethyl-4-pyrimidinyl)amino]-

In Other Databases

ChemSpider 2097574
PubChem 2819340