| SpectraBase Spectrum ID |
BXI3WEAbCUA |
| Name |
6-[6-Phenyl-2,2-di(carboxyethyl)indan-5-yl]-9-(tetrahydropyran-2-yl)-9H-purine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H32N4O5 |
| InChI |
InChI=1S/C31H32N4O5/c36-26(37)9-11-31(12-10-27(38)39)16-21-14-23(20-6-2-1-3-7-20)24(15-22(21)17-31)28-29-30(33-18-32-28)35(19-34-29)25-8-4-5-13-40-25/h1-3,6-7,14-15,18-19,25H,4-5,8-13,16-17H2,(H,36,37)(H,38,39) |
| InChIKey |
CBSFQDLKNSFYHZ-UHFFFAOYSA-N |
| Molecular Weight |
540.620 g/mol |
| SMILES |
OC(CCC1(CCC(=O)O)Cc2cc(-c3c4c([n](cn4)C4OCCCC4)ncn3)c(cc2C1)-c1ccccc1)=O |
| SPLASH |
splash10-0089-9280310000-2c693c982da8a7ed4275 |
| Source of Spectrum |
F-69-9230-3 |
| Synonyms |
3-[2-(2-carboxyethyl)-5-phenyl-6-(9-tetrahydro-2H-pyran-2-yl-9H-purin-6-yl)-2,3-dihydro-1H-inden-2-yl]propanoic acid |
| Wiley ID |
1596025 |
![6-[6-Phenyl-2,2-di(carboxyethyl)indan-5-yl]-9-(tetrahydropyran-2-yl)-9H-purine](/api/spectrum/BXI3WEAbCUA/structure.png?h=300&w=458 "6-[6-Phenyl-2,2-di(carboxyethyl)indan-5-yl]-9-(tetrahydropyran-2-yl)-9H-purine")
