| SpectraBase Spectrum ID |
DbQBSqQUPTX |
| Name |
2-Amino-9-(2-deoxy-2-methylene-.beta.,D-erythro-pentofuranosyl)-6-methylthiopurine |
| Alternate Name(s) |
(2R,3S,5S)-5-[2-amino-6-(methylsulfanyl)-9H-purin-9-yl]-2-(hydroxymethyl)-4-methylideneoxolan-3-ol |
| CAS Registry Number |
141320-72-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15N5O3S |
| InChI |
InChI=1S/C12H15N5O3S/c1-5-8(19)6(3-18)20-11(5)17-4-14-7-9(17)15-12(13)16-10(7)21-2/h4,6,8,11,18-19H,1,3H2,2H3,(H2,13,15,16)/t6-,8+,11+/m1/s1 |
| InChIKey |
UXAYQTWSHMMQBL-ZYAQMDEOSA-N |
| Molecular Weight |
309.344 g/mol |
| SMILES |
Nc1nc(c2c([n]([C@]3(O[C@](CO)([C@](C3=C)(O)[H])[H])[H])cn2)n1)SC |
| SPLASH |
splash10-053r-0906000000-bb8eb06b66dd488e215c |
| Source of Spectrum |
E1-35-2292-43 |
| Wiley ID |
1574393 |
