| SpectraBase Spectrum ID |
LBQHW3UvgF1 |
| Name |
3-Cyano-4-imino-2-methylthio-8-methoxy-4H-pyrimido[2,1-b][1,3]benzothiaole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H10N4OS2 |
| InChI |
InChI=1S/C13H10N4OS2/c1-18-7-3-4-9-10(5-7)20-13-16-12(19-2)8(6-14)11(15)17(9)13/h3-5,15H,1-2H3 |
| InChIKey |
HGSZZBCFQZHQSU-UHFFFAOYSA-N |
| Molecular Weight |
302.370 g/mol |
| SMILES |
N=C1N2C(=NC(=C1C#N)SC)Sc1c2ccc(OC)c1 |
| SPLASH |
splash10-0udi-0009000000-ae7d569bf8ede424d386 |
| Source of Spectrum |
Y-48-853-3 |
| Synonyms |
4-imino-8-methoxy-2-(methylthio)-3-pyrimido[2,1-b][1,3]benzothiazolecarbonitrile
4-imino-8-methoxy-2-methylsulfanylpyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
4-imino-8-methoxy-2-methylsulfanyl-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
4-azanylidene-8-methoxy-2-methylsulfanyl-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile |
| Wiley ID |
1667916 |
![3-Cyano-4-imino-2-methylthio-8-methoxy-4H-pyrimido[2,1-b][1,3]benzothiaole](/api/spectrum/LBQHW3UvgF1/structure.png?h=300&w=458 "3-Cyano-4-imino-2-methylthio-8-methoxy-4H-pyrimido[2,1-b][1,3]benzothiaole")
