5OU
3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione
Find entries where: 5OU
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione |
| Identifiers | 3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione |
| Formula | C14 H13 Cl N4 O2 |
| Molecular Weight | 304.732 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl |
| InChI | InChI=1S/C14H13ClN4O2/c1-2-18-8-16-12-11(18)13(20)17-14(21)19(12)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,17,20,21) |
| InChIKey | ZUHFEYWVQFKDLX-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 34 |
| Chiral Atom Count | 0 |
| Bond Count | 36 |
| Aromatic Bond Count | 11 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 112499930 |
| ChEMBL | CHEMBL3775058 |
