| SpectraBase Spectrum ID |
6fAfUcQxwto |
| Name |
4H-Pyrimido[2,1-b]benzothiazolium, 2-hydroxy-1-methyl-4-oxo-3-phenyl-, hydroxide, inner salt |
| CAS Registry Number |
97684-74-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H12N2O2S |
| InChI |
InChI=1S/C17H12N2O2S/c1-18-15(20)14(11-7-3-2-4-8-11)16(21)19-12-9-5-6-10-13(12)22-17(18)19/h2-10H,1H3 |
| InChIKey |
RTEKDTVOPIHASN-UHFFFAOYSA-N |
| Molecular Weight |
308.355 g/mol |
| SMILES |
c12[n+](C(C(=C(N2C)[O-])c2ccccc2)=O)c2c(s1)cccc2 |
| SPLASH |
splash10-014i-9000000000-a23cc5e524ed3193b53f |
| Source of Spectrum |
K-118-2089-3 |
| Synonyms |
1-Methyl-4-oxo-3-phenyl-1H,4H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-olate
1-Methyl-4-oxo-3-phenyl-4H-benzothiazolo[3,2-a]pyrimidin-1-ium-2-olat |
| Wiley ID |
1309711 |
![1-Methyl-4-oxo-3-phenyl-4H-benzothiazolo[3,2-a]pyrimidin-1-ium-2-olate](/api/spectrum/6fAfUcQxwto/structure.png?h=300&w=458 "1-Methyl-4-oxo-3-phenyl-4H-benzothiazolo[3,2-a]pyrimidin-1-ium-2-olate")
