5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Modify Date: 2026-08-17 09:58:13
![5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione Structure](https://www.chemsrc.com/extcaspic/405/852168-97-9.png)
5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure
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Common Name | 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione | ||
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| CAS Number | 852168-97-9 | Molecular Weight | 438.5 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C22H19FN4O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C22H19FN4O3S |
|---|---|
| Molecular Weight | 438.5 |
| InChIKey | VTNJLFAFACKQKR-UHFFFAOYSA-N |
| SMILES | COc1ccc(-c2nc(SCc3cccc(F)c3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: CAS number of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 852168-97-9. |
| Q: What is the molecular weight of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: Molecular weight of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 438.5. |
| Q: What is the molecular formula of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: Molecular formula of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C22H19FN4O3S. |
| Q: What is the Chinese name of 852168-97-9? |
| A: Chinese name of 852168-97-9 is 852168-97-9. |
| Q: What is the InChIKey of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: InChIKey of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is VTNJLFAFACKQKR-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: SMILES notation of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is COc1ccc(-c2nc(SCc3cccc(F)c3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1. |
| Q: What is the English name of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: The English name of 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 5-((3-fluorobenzyl)thio)-7-(4-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. |