| SpectraBase Spectrum ID |
I69TQEQQqvl |
| Name |
7-Ethyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione |
| Alternate Name(s) |
7-Ethyl-3-methyl-8-(phenacylthio)purine-2,6-dione
7-Ethyl-3-methyl-8-(phenacylthio)xanthine
7-Ethyl-3-methyl-8-phenacylsulfanyl-purine-2,6-dione
Purine-2,6(1H,3H)-dione, 8-benzoylmethylthio-7-ethyl-3-methyl- |
| CAS Registry Number |
189149-72-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16N4O3S |
| InChI |
InChI=1S/C16H16N4O3S/c1-3-20-12-13(19(2)15(23)18-14(12)22)17-16(20)24-9-11(21)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,18,22,23) |
| InChIKey |
JAAMADRFZMWEDR-UHFFFAOYSA-N |
| Molecular Weight |
344.389 g/mol |
| SMILES |
N1C(c2[n](c(nc2N(C1=O)C)SCC(=O)c1ccccc1)CC)=O |
| SPLASH |
splash10-0a4i-9701000000-05593e1cd6c582159d5d |
| Source of Spectrum |
AD-0-2532-0 |
| Wiley ID |
1420051 |
![7-Ethyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/I69TQEQQqvl/structure.png?h=300&w=458 "7-Ethyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione")
