Account Methyl 2-{[4-(ethylsulfanyl)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]oxy}benzoate
- Catalog No. :
- ACGXOU986
- CAS No. :
- 478065-72-4
- Molecular Formula :
- C21H19N3O3S2
- Molecular Weight :
- 425.54
IUPAC Name:methyl 2-((2-(ethylthio)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)oxy)benzoate
![Methyl 2-{[4-(ethylsulfanyl)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]oxy}benzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Methyl 2-{[4-(ethylsulfanyl)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]oxy}benzoate |
|---|---|
| IUPAC Name | methyl 2-((2-(ethylthio)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)oxy)benzoate |
| Molecular Formula | C21H19N3O3S2 |
| Molecular Weight | 425.54 |
| SMILES | O=C(OC)C1=CC=CC=C1OC2=C3C(C4=C(C)C=C(C)N=C4S3)=NC(SCC)=N2 |
| InChI Key | UHKZCBKTSIYSFL-UHFFFAOYSA-N |
| Synonym | methyl 2-{[4-(ethylsulfanyl)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]oxy}benzoate;METHYL 2-([2-(ETHYLSULFANYL)-7,9-DIMETHYLPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL]OXY)BENZENECARBOXYLATE;Benzoic acid, 2-[[2-(ethylthio)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl]oxy]-, methyl ester |
| CAS No. | 478065-72-4 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACGXOU986 Molecular Building Block Synthetic Route
11,13-Dimethyl-6-phenoxy-4-(prop-2-en-1-ylsulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene
11,13-Dimethyl-6-(3-methylphenoxy)-4-(prop-2-en-1-ylsulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene
4-(Ethylsulfanyl)-11,13-dimethyl-6-(4-methylphenoxy)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene