| SpectraBase Spectrum ID |
JspTBFrhGeK |
| Name |
8-Amino-9-.beta.-D-xylopyranosyl-1-methyl-2-(methylthio)purin-6(1H)-one |
| CAS Registry Number |
137363-11-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17N5O5S |
| InChI |
InChI=1S/C12H17N5O5S/c1-16-9(21)5-8(15-12(16)23-2)17(11(13)14-5)10-7(20)6(19)4(18)3-22-10/h4,6-7,10,18-20H,3H2,1-2H3,(H2,13,14)/t4-,6+,7-,10-/m1/s1 |
| InChIKey |
HCNZUFTYFCPWCS-GAWUUDPSSA-N |
| Molecular Weight |
343.358 g/mol |
| SMILES |
Nc1nc2c([n]1[C@]1([C@@]([C@]([C@@](CO1)(O)[H])(O)[H])(O)[H])[H])N=C(N(C2=O)C)SC |
| SPLASH |
splash10-03di-0090000000-8cb08ca1992abf027465 |
| Source of Spectrum |
J-57-563-0 |
| Synonyms |
8-amino-1-methyl-2-(methylsulfanyl)-9-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-6,9-dihydro-1H-purin-6-one |
| Wiley ID |
1337114 |
