SpectraBase Spectrum ID |
8i9hBhbjiiZ |
Name |
1-[6-[[4,4,4-trideuterio-3-(trideuteriomethyl)but-2-enyl]amino]purin-9-yl]ethanone |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H9D6N5O |
InChI |
InChI=1S/C12H15N5O/c1-8(2)4-5-13-11-10-12(15-6-14-11)17(7-16-10)9(3)18/h4,6-7H,5H2,1-3H3,(H,13,14,15)/i1D3,2D3 |
InChIKey |
QFUFXIIBRYBRER-WFGJKAKNSA-N |
Literature Reference DOI |
10.1002_(SICI)1099-1565(199603)7_2_57 |
Molecular Weight |
251.323 g/mol |
SMILES |
N(c1ncnc2c1nc[n]2C(=O)C)CC=C(C([2D])([2D])[2D])C([2D])([2D])[2D] |
SPLASH |
splash10-01ox-3920000000-0cd9a9acab405166dc19 |
Source of Spectrum |
PA-7-63-63_2 |
Synonyms |
1-(6-((3-(methyl-d3)but-2-en-1-yl-4,4,4-d3)amino)-9H-purin-9-yl)ethan-1-one |
Wiley ID |
1800165 |