Account NCT-501 HCl
- Catalog No. :
- ACSOUS316
- CAS No. :
- 2080306-22-3
- Molecular Formula :
- C21H33ClN6O3
- Molecular Weight :
- 452.99
IUPAC Name:8-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride
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Product Information
| Product Name | NCT-501 HCl |
|---|---|
| IUPAC Name | 8-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride |
| Molecular Formula | C21H33ClN6O3 |
| Molecular Weight | 452.99 |
| SMILES | O=C(N(C1=C(C2=O)N(C(CN3CCN(CC3)C(C4CC4)=O)=N1)CCC(C)C)C)N2C.[H]Cl |
| InChI Key | MQNBJYUQFQUJQZ-UHFFFAOYSA-N |
| Synonym | NCT-501 (hydrochloride);1H-Purine-2,6-dione, 8-[[4-(cyclopropylcarbonyl)-1-piperazinyl]methyl]-3,7-dihydro-1,3-dimethyl-7-(3-methylbutyl)-, hydrochloride (1:1) |
| CAS No. | 2080306-22-3 |
Synthetic Route by SureRoute
2. ACSOUS316 Molecular Building Block Synthetic Route
8-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-((4-(2-Hydroxyethyl)piperazin-1-yl)methyl)-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-Isobutyl-1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione