| SpectraBase Spectrum ID |
1IO1fIrnNtI |
| Name |
3-Methyl-2-[(3,7-dimethyl-6-purinylidene)methyl]benzothiazolium iodide |
| Alternate Name(s) |
2-[(Z)-(3,7-dimethyl-3,7-dihydro-6H-purin-6-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium iodide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16IN5S |
| InChI |
InChI=1S/C16H16N5S.HI/c1-19-10-18-16-15(19)11(17-9-20(16)2)8-14-21(3)12-6-4-5-7-13(12)22-14;/h4-10H,1-3H3;1H/q+1;/p-1 |
| InChIKey |
PZJYFOHDJLCTTH-UHFFFAOYSA-M |
| Molecular Weight |
437.303 g/mol |
| SMILES |
[I-].c12c(nc[n]2C)N(C)C=N\C1=C\c1[n+](c2ccccc2s1)C |
| SPLASH |
splash10-0007-0950000000-73ddfa596f297e660f47 |
| Source of Spectrum |
F-53-12600-6 |
| Wiley ID |
803567 |
![3-Methyl-2-[(3,7-dimethyl-6-purinylidene)methyl]benzothiazolium iodide](/api/spectrum/1IO1fIrnNtI/structure.png?h=300&w=458 "3-Methyl-2-[(3,7-dimethyl-6-purinylidene)methyl]benzothiazolium iodide")
