| SpectraBase Spectrum ID |
H4K2pYDEwgB |
| Name |
Methyl 3-{6'-[2''-Amino-1",6''-dihydro-6"-oxo-9H-purin-9''-yl]hexyl}thio-2,2-dimethyl-3-oxopropanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H25N5O4S |
| InChI |
InChI=1S/C17H25N5O4S/c1-17(2,14(24)26-3)15(25)27-9-7-5-4-6-8-22-10-19-11-12(22)20-16(18)21-13(11)23/h10H,4-9H2,1-3H3,(H3,18,20,21,23) |
| InChIKey |
YOHQJZOATOTXIX-UHFFFAOYSA-N |
| Molecular Weight |
395.478 g/mol |
| SMILES |
N1C(c2c(N=C1N)[n](cn2)CCCCCCSC(C(C(=O)OC)(C)C)=O)=O |
| SPLASH |
splash10-0016-4495000000-238f1016e55041b7b47e |
| Source of Spectrum |
H-85-3017-22 |
| Synonyms |
Methyl 3-[6'-{2''-amino-1'',6''-dihydro-6''-oxo-9H-purin-9''-yl}hexylthio]-2,2-dimethyl-3-oxopropanoate
Methyl 3-{[6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)hexyl]sulfanyl}-2,2-dimethyl-3-oxopropanoate |
| Wiley ID |
1524642 |
![Methyl 3-{6'-[2''-Amino-1",6''-dihydro-6"-oxo-9H-purin-9''-yl]hexyl}thio-2,2-dimethyl-3-oxopropanoate](/api/spectrum/H4K2pYDEwgB/structure.png?h=300&w=458 "Methyl 3-{6'-[2''-Amino-1\",6''-dihydro-6\"-oxo-9H-purin-9''-yl]hexyl}thio-2,2-dimethyl-3-oxopropanoate")
