| SpectraBase Spectrum ID |
7TPUSJxcX7V |
| Name |
3-[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H11N3O3S |
| InChI |
InChI=1S/C13H11N3O3S/c14-6-7-16-12(19)9-3-1-2-4-10(9)15-13(16)20-8-5-11(17)18/h1-4H,5,7-8H2,(H,17,18) |
| InChIKey |
GXXQBBLXMHCBFV-UHFFFAOYSA-N |
| Molecular Weight |
289.309 g/mol |
| SMILES |
OC(CCSC1=Nc2c(C(N1CC#N)=O)cccc2)=O |
| SPLASH |
splash10-014i-0390000000-ffc8f618e430e95c3516 |
| Source of Spectrum |
J-66-4725-4 |
| Synonyms |
3-[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoic acid
3-[[3-(cyanomethyl)-4-keto-quinazolin-2-yl]thio]propionic acid
3-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]thio]propanoic acid |
| Wiley ID |
1535570 |
![3-[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoic acid](/api/spectrum/7TPUSJxcX7V/structure.png?h=300&w=458 "3-[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoic acid")
