| SpectraBase Spectrum ID |
CUvIkwPagqv |
| Name |
1-(3,4-Dihydroxyphenyl)-2-(9H-purin-6-ylsulfanyl)ethanone |
| Alternate Name(s) |
1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone
1-(3,4-dihydroxyphenyl)-2-(7H-purin-6-ylthio)ethanone
1-[3,4-bis(oxidanyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanone
Ethanone, 1-(3,4-dihydroxyphenyl)-2-(9H-purin-6-yl)- |
| CAS Registry Number |
80985-27-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H10N4O3S |
| InChI |
InChI=1S/C13H10N4O3S/c18-8-2-1-7(3-9(8)19)10(20)4-21-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6,18-19H,4H2,(H,14,15,16,17) |
| InChIKey |
LHIAIAJPUGTNQM-UHFFFAOYSA-N |
| Molecular Weight |
302.308 g/mol |
| SMILES |
[nH]1cnc2c(SCC(c3ccc(c(c3)O)O)=O)ncnc12 |
| SPLASH |
splash10-0f79-4900000000-6e56bbfa3117168592b9 |
| Source of Spectrum |
AD-0-2532-0 |
| Wiley ID |
1424364 |
