| SpectraBase Spectrum ID |
IfxxC9ecLPE |
| Name |
6H-purin-6-one, 1,9-dihydro-1-methyl-2-(methylthio)-9.beta.,D-xylopyranosyl-, |
| Alternate Name(s) |
1-methyl-2-(methylsulfanyl)-9-[(2R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]-6,9-dihydro-1H-purin-6-one
1-Methyl-2-methylthio-6-deoxy-9.beta.,D-glycopyranosylpurin-6(1H)-one |
| CAS Registry Number |
137363-13-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16N4O5S |
| InChI |
InChI=1S/C12H16N4O5S/c1-15-10(20)6-9(14-12(15)22-2)16(4-13-6)11-8(19)7(18)5(17)3-21-11/h4-5,7-8,11,17-19H,3H2,1-2H3/t5-,7+,8-,11-/m1/s1 |
| InChIKey |
UJFIYPFEIVGXBG-GZCUOZMLSA-N |
| Molecular Weight |
328.343 g/mol |
| SMILES |
O[C@]1([C@@](CO[C@]([C@@]1(O)[H])([n]1c2c(C(=O)N(C(=N2)SC)C)nc1)[H])(O)[H])[H] |
| SPLASH |
splash10-0002-0901000000-5763430aa28f690e2ee0 |
| Source of Spectrum |
SO-0-492-2 |
| Wiley ID |
1543124 |
