| SpectraBase Spectrum ID |
JJRNNcoGfx |
| Name |
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 |
C12H16N4O6S |
| InChI |
InChI=1S/C12H16N4O6S/c1-23-12-14-9-5(10(21)15-12)13-3-16(9)11-8(20)7(19)6(18)4(2-17)22-11/h3-4,6-8,11,17-20H,2H2,1H3,(H,14,15,21)/t4?,6-,7-,8?,11+/m0/s1 |
| InChIKey |
YUYHWVWEDABSBD-AWUKMULVSA-N |
| Molecular Weight |
344.342 g/mol |
| SMILES |
O[C@]1([C@](C(O[C@](C1O)([n]1c2c(nc1)C(=O)NC(=N2)SC)[H])CO)(O)[H])[H] |
| SPLASH |
splash10-001i-0900000000-8397744e9ced66f7139e |
| Source of Spectrum |
SO-0-492-2 |
| Wiley ID |
1543127 |
