Account 1-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)urea
- Catalog No. :
- ACDKOL952
- CAS No. :
- 1955514-80-3
- Molecular Formula :
- C26H29N9O3
- Molecular Weight :
- 515.58
IUPAC Name:1-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)urea
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Product Information
| Product Name | 1-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)urea |
|---|---|
| IUPAC Name | 1-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)urea |
| MDL No. | - |
| Molecular Formula | C26H29N9O3 |
| Molecular Weight | 515.58 |
| SMILES | CC#CCN1C(N2CCCC(NC(N)=O)C2)=NC2=C1C(=O)N(CC1=NC(C)=C3C=CC=CC3=N1)C(=O)N2C |
| InChI Key | QWRPIDPNVOGFFM-UHFFFAOYSA-N |
| Synonym | Ligliptin Impurity CD10925;Linagliptin Imp.CD10925;Linagliptin N-Aminocarbonyl Impurity;Urea, N-[1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]-;Linagliptin Impurity 106;8-[(3R)-3-Aminocarbonylamino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione;{1-[7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidin-3-yl}urea |
| CAS No. | 1955514-80-3 |
Synthetic Route by SureRoute
2. ACDKOL952 Molecular Building Block Synthetic Route
8,8'-((3R,3'R)-(methylenebis(azanediyl))bis(piperidine-3,1-diyl))bis(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione)
N-(1-(7-(But-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)formamide
(R)-N-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)acetamide