| SpectraBase Spectrum ID |
IlRBGUpzbhz |
| Name |
Methyl 3-cyano-1,5-bis( 9'-benzyl-6'-purinyl)pentane-3-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H29N9O2 |
| InChI |
InChI=1S/C32H29N9O2/c1-43-31(42)32(18-33,14-12-25-27-29(36-19-34-25)40(21-38-27)16-23-8-4-2-5-9-23)15-13-26-28-30(37-20-35-26)41(22-39-28)17-24-10-6-3-7-11-24/h2-11,19-22H,12-17H2,1H3 |
| InChIKey |
HBGOIUKDTUEUHG-UHFFFAOYSA-N |
| Molecular Weight |
571.645 g/mol |
| SMILES |
c12[n](cnc2c(CCC(C(=O)OC)(C#N)CCc2c3c([n](Cc4ccccc4)cn3)ncn2)ncn1)Cc1ccccc1 |
| SPLASH |
splash10-0076-7090000000-01d00900d938e5a27241 |
| Source of Spectrum |
SB-51-1122-11 |
| Synonyms |
Methyl 4-(9-benzyl-9H-purin-6-yl)-2-[2-(9-benzyl-9H-purin-6-yl)ethyl]-2-cyanobutanoate |
| Wiley ID |
1407788 |
