| SpectraBase Spectrum ID |
5yuGAWpJkde |
| Name |
8-Amino-9-.beta.-D-glucopyranosyl-1-methyl-2-(methylthio)purin-6(1H)-one |
| CAS Registry Number |
137393-26-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H19N5O6S |
| InChI |
InChI=1S/C13H19N5O6S/c1-17-10(23)5-9(16-13(17)25-2)18(12(14)15-5)11-8(22)7(21)6(20)4(3-19)24-11/h4,6-8,11,19-22H,3H2,1-2H3,(H2,14,15)/t4-,6-,7+,8-,11-/m1/s1 |
| InChIKey |
HEHVKLAYARFKRH-KIEKWIABSA-N |
| Molecular Weight |
373.384 g/mol |
| SMILES |
Nc1nc2c([n]1[C@]1([C@@]([C@]([C@@]([C@@](CO)(O1)[H])(O)[H])(O)[H])(O)[H])[H])N=C(N(C2=O)C)SC |
| SPLASH |
splash10-03di-0090000000-bf584ab66927ba8a8f5d |
| Source of Spectrum |
J-57-563-0 |
| Synonyms |
8-amino-1-methyl-2-(methylsulfanyl)-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,9-dihydro-1H-purin-6-one |
| Wiley ID |
1355979 |
