Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L1E2UP
|
|||
| Ligand Name |
8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione
|
|||
| Synonyms |
8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione; SCHEMBL19874720; JCR
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C22H20N6O2
|
|||
| Canonical SMILES |
CCN1C2=C(C(=O)NC1=O)N(C(=N2)CC3=NC4=CC=CC=C4N3)CC5=CC=CC=C5
|
|||
| InChI |
1S/C22H20N6O2/c1-2-27-20-19(21(29)26-22(27)30)28(13-14-8-4-3-5-9-14)18(25-20)12-17-23-15-10-6-7-11-16(15)24-17/h3-11H,2,12-13H2,1H3,(H,23,24)(H,26,29,30)
|
|||
| InChIKey |
KRRLVHYAVVYHJV-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.