| SpectraBase Spectrum ID |
FZEQodrYRqK |
| Name |
1-Methyl-2-methylthio-9.beta.,D-glycopyranosylpurin-6(1H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18N4O6S |
| InChI |
InChI=1S/C13H18N4O6S/c1-16-11(22)6-10(15-13(16)24-2)17(4-14-6)12-9(21)8(20)7(19)5(3-18)23-12/h4-5,7-9,12,18-21H,3H2,1-2H3/t5?,7-,8-,9?,12+/m0/s1 |
| InChIKey |
FMYIGYIGNUAPIW-MHQLGMAFSA-N |
| Molecular Weight |
358.369 g/mol |
| SMILES |
O[C@]1([C@](C(CO)O[C@](C1O)([n]1c2c(C(=O)N(C(=N2)SC)C)nc1)[H])(O)[H])[H] |
| SPLASH |
splash10-0002-0901000000-28d82ff6dc0f9e10e5ef |
| Source of Spectrum |
SO-0-492-2 |
| Wiley ID |
1543125 |
