| SpectraBase Spectrum ID |
2KkHCBByhMU |
| Name |
Methyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.141261755 u |
| Formula |
C22H22N4O3S |
| InChI |
InChI=1S/C22H22N4O3S/c1-12-16(14(3)25(4)24-12)11-17-20(27)26-19(15-9-7-6-8-10-15)18(21(28)29-5)13(2)23-22(26)30-17/h6-11,19H,1-5H3/b17-11+ |
| InChIKey |
UWXJPWLVYNOZNB-GZTJUZNOSA-N |
| Molecular Weight |
422.503 g/mol |
| SMILES |
C1=2N(C(C(=C(N2)C)C(=O)OC)C2=CC=CC=C2)C(\C(S1)=C/C1=C(N(C)N=C1C)C)=O |
![methyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate](/api/spectrum/2KkHCBByhMU/structure.png?h=300&w=458 "methyl (2E)-7-methyl-3-oxo-5-phenyl-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate")
