| SpectraBase Spectrum ID |
KaRR6WlkecO |
| Name |
1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl- |
| CAS Registry Number |
27042-75-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H13N5O2S |
| InChI |
InChI=1S/C11H13N5O2S/c1-4-16-7(5-12-6-19)13-9-8(16)10(17)15(3)11(18)14(9)2/h4-5H2,1-3H3 |
| InChIKey |
OKQHPTHZOPWENY-UHFFFAOYSA-N |
| Molecular Weight |
279.318 g/mol |
| SMILES |
CC[n]1c(CN=C=S)nc2c1C(N(C)C(N2C)=O)=O |
| SPLASH |
splash10-0a59-9180000000-1b88c94c4c11916e1d08 |
| Source of Spectrum |
G-34-1660-3 |
| Synonyms |
7-Ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-Ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-purine-2,6-dione
7-Ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-xanthine
Isothiocyanic acid, (7-ethyl-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl ester |
| Wiley ID |
1282736 |
