4-[3-(5-Oxo-2,3-dihydro-5H-pyrimido[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
3873
Reference
4-[3-(5-Oxo-2,3-dihydro-5H-pyrimido[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazol-5-yl]butanoic acid Structure
Systematic / IUPAC Name: 4-[3-(5-Oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
ID: Reference3873
Other Names: 1,2,4-Oxadiazole-5-butanoic acid, 3-(2,3-dihydro-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-
Formula: C12H12N4O4S
Spectral Data
4-[3-(5-Oxo-2,3-dihydro-5H-pyrimido[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazol-5-yl]butanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 268 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/16/2016 9:21:42 AM |
Identificators
| InChI | InChI=1S/C12H12N4O4S/c17-9(18)3-1-2-8-14-10(15-20-8)7-6-13-12-16(11(7)19)4-5-21-12/h6H,1-5H2,(H,17,18) |
| InChI Key | IGDNZDPCHBJZSV-UHFFFAOYSA-N |
| Canonical SMILES | C1CSC2=NC=C(C(=O)N21)C3=NOC(=N3)CCCC(=O)O |
| CAS | |
| Splash | |
| Other Names | 1,2,4-Oxadiazole-5-butanoic acid, 3-(2,3-dihydro-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)- |
In Other Databases
| PubChem | 2739519 |
| ChemSpider | 2021137 |
| ChEMBL | CHEMBL562004 |