| SpectraBase Spectrum ID |
FiRJgPBgVG |
| Name |
3-[[2-[[7-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetyl]amino]-3-(4-methoxyphenyl)propionic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H30ClN5O6S |
| InChI |
InChI=1S/C28H30ClN5O6S/c1-5-40-23(36)14-21(17-10-12-19(39-4)13-11-17)30-22(35)16-41-27-31-25-24(26(37)33(3)28(38)32(25)2)34(27)15-18-8-6-7-9-20(18)29/h6-13,21H,5,14-16H2,1-4H3,(H,30,35) |
| InChIKey |
MZGWZSFVDNONQN-UHFFFAOYSA-N |
| Molecular Weight |
600.090 g/mol |
| SMILES |
N(C(CC(=O)OCC)c1ccc(cc1)OC)C(CSc1nc2c([n]1Cc1c(Cl)cccc1)C(=O)N(C(N2C)=O)C)=O |
| SPLASH |
splash10-004i-4930000000-df06a2a51ee184b04c57 |
| Synonyms |
3-[[2-[[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-1-oxoethyl]amino]-3-(4-methoxyphenyl)propanoic acid ethyl ester
Ethyl 3-[({[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]-3-(4-methoxyphenyl)propanoate
Ethyl 3-[2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoylamino]-3-(4-methoxyphenyl)propanoate
Ethyl 3-[[2-[7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetyl]amino]-3-(4-methoxyphenyl)propanoate |
| Wiley ID |
1442640 |
![3-[[2-[[7-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetyl]amino]-3-(4-methoxyphenyl)propionic acid ethyl ester](/api/spectrum/FiRJgPBgVG/structure.png?h=300&w=458 "3-[[2-[[7-(2-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetyl]amino]-3-(4-methoxyphenyl)propionic acid ethyl ester")
