Account 3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-4-yl}propanoic acid
- Catalog No. :
- ACABQM402
- CAS No. :
- 450394-87-3
- Molecular Formula :
- C13H14N2O3S
- Molecular Weight :
- 278.33
IUPAC Name:3-(4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)propanoic acid
![3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-4-yl}propanoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-4-yl}propanoic acid |
|---|---|
| IUPAC Name | 3-(4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)propanoic acid |
| MDL No. | MFCD02960611 |
| Molecular Formula | C13H14N2O3S |
| Molecular Weight | 278.33 |
| SMILES | O=C(O)CCN1C(C(C2=C(CCCC2)S3)=C3N=C1)=O |
| InChI Key | OCUIDGHTFTUMJB-UHFFFAOYSA-N |
| Synonym | AKOS MSC-0272;ETHYL 2,4-DIOXO-4-PYRIDIN-3-YLBUTANOATE;3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-4-yl}propanoic acid;[1]Benzothieno[2,3-d]pyrimidine-3(4H)-propanoic acid, 5,6,7,8-tetrahydro-4-oxo- |
| CAS No. | 450394-87-3 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACABQM402 Molecular Building Block Synthetic Route
7-Methyl-3-(2-oxopropyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
(4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno-[2,3-d]pyrimidin-3-yl)-acetic acid
Methyl 2-(4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetate