3-{[(2,6-Dimethylpyrimidin-4-yl)amino]methylidene}-1-methyl-1,2,3,4-tetrahydro-2λ6,1-benzothiazine-2,2,4-trione

enlarge

Systematic / IUPAC Name: (3E)-3-{[(2,6-Dimethyl-4-pyrimidinyl)amino]methylene}-1-methyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide

ID: Reference6367

Other Names: 1H-2,1-Benzothiazin-4(3H)-one, 3-{[(2,6-dimethyl-4-pyrimidinyl)amino]methylene}-1-methyl-, 2,2-dioxide, (3E)-

Formula: C16H16N4O3S

Spectral Data

3-{[(2,6-Dimethylpyrimidin-4-yl)amino]methylidene}-1-methyl-1,2,3,4-tetrahydro-2λ6,1-benzothiazine-2,2,4-trione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/27/2017 8:54:03 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C16H16N4O3S/c1-10-8-15(19-11(2)18-10)17-9-14-16(21)12-6-4-5-7-13(12)20(3)24(14,22)23/h4-9H,1-3H3,(H,17,18,19)/b14-9+
InChI Key WREXVNANURWAHU-NTEUORMPSA-N
Canonical SMILES CC1=CC(=NC(=N1)C)NC=C2C(=O)C3=CC=CC=C3N(S2(=O)=O)C
CAS
Splash
Other Names 1H-2,1-Benzothiazin-4(3H)-one, 3-{[(2,6-dimethyl-4-pyrimidinyl)amino]methylene}-1-methyl-, 2,2-dioxide, (3E)-

In Other Databases

PubChem 2819329
ChemSpider 2097563