0S9
5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine
Find entries where: 0S9
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 5-bromo-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]-N~4~-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine |
| Identifiers | 5-bromanyl-N2-[(3-methyl-1,2-oxazol-5-yl)methyl]-N4-[3-(2-phenylethyl)-1H-pyrazol-5-yl]pyrimidine-2,4-diamine |
| Formula | C20 H20 Br N7 O |
| Molecular Weight | 454.323 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br |
| InChI | InChI=1S/C20H20BrN7O/c1-13-9-16(29-28-13)11-22-20-23-12-17(21)19(25-20)24-18-10-15(26-27-18)8-7-14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H3,22,23,24,25,26,27) |
| InChIKey | BUSNTKOLFQPMBH-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 49 |
| Chiral Atom Count | 0 |
| Bond Count | 52 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL2088095 |
| PubChem | 56973550 |
| ChEMBL | CHEMBL2088095 |
