8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione, 95%

cas: 853029-57-9 — see every product listed under this CAS number, including other names

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione, 95% (CAS 853029-57-9) is a chemical reagent available from Chemat. Available pack sizes: 1g, 5g, 10g, 25g, 100g. Offered by: Chemat.

• 2D
• 3D

8-bromo-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione (CAS 853029-57-9) is a chemical compound with the molecular formula C20H17BrN6O2 and a molecular weight of 453.3 g/mol. IUPAC name: 8-bromo-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione. InChIKey: RCZJXCXNYGHNSR-UHFFFAOYSA-N.

Identity

Molecular formula	C20H17BrN6O2
Molecular weight	453.3 g/mol
IUPAC name	8-bromo-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
InChIKey	RCZJXCXNYGHNSR-UHFFFAOYSA-N
SMILES	CC#CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=NC4=CC=CC=C4C(=N3)C)C

Computed by PubChem (NCBI)

Synonyms: 1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine, Linagliptin Impurity 94, C20H17BrN6O2, Linagliptin Impurity 48, 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromo xanthine, 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine, 1-[(4-methyl-quinazolin-2yl) methyl]-3-methyl-7-(2-butyn-1-yl)-8-Bromo-xanthine, 1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-bromoxanthine

Isomers (same molecular formula)

4-[6-amino-5-bromo-2-(4-cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethylbenzamide C₂₀H₁₇BrN₆O₂