Account 3-[({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl]propanoic acid
- Catalog No. :
- ACMHVD076
- CAS No. :
- 790271-09-9
- Molecular Formula :
- C14H16N2O3S2
- Molecular Weight :
- 324.43
IUPAC Name:3-(((4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl)thio)propanoic acid
![3-[({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl]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-5-yl}methyl)sulfanyl]propanoic acid |
|---|---|
| IUPAC Name | 3-(((4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl)thio)propanoic acid |
| MDL No. | MFCD06357877 |
| Molecular Formula | C14H16N2O3S2 |
| Molecular Weight | 324.43 |
| SMILES | O=C(O)CCSCC1=NC2=C(C(N1)=O)C3=C(CCCC3)S2 |
| InChI Key | XOKAFVKUROCSIP-UHFFFAOYSA-N |
| Synonym | Propanoic acid, 3-[[(1,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]-;3-[[(1,4,5,6,7,8-Hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]thio]propanoic acid |
| CAS No. | 790271-09-9 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H312-H332
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Synthetic Route by SureRoute
2. ACMHVD076 Molecular Building Block Synthetic Route
2-[({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl]acetic acid
2-[({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl]propanoic acid
3-[({12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-10-yl}methyl)sulfanyl]propanoic acid