W3N
Summary
| Name: | 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione |
| Formula: | C22 H18 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 398.417 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(1~{S})-1-[3-(1~{H}-imidazol-4-yl)phenyl]ethyl]-5-(1~{H}-indazol-7-yl)pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H18N6O2/c1-13(14-4-2-5-15(8-14)19-10-23-12-24-19)28-11-18(21(29)26-22(28)30)17-7-3-6-16-9-25-27-20(16)17/h2-13H,1H3,(H,23,24)(H,25,27)(H,26,29,30)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | RGEIAXNRJWEHFV-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4cccc(c4)c5c[nH]cn5 |
| SMILES | CACTVS | 3.385 | C[CH](N1C=C(C(=O)NC1=O)c2cccc3cn[nH]c23)c4cccc(c4)c5c[nH]cn5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cccc(c1)c2c[nH]cn2)N3C=C(C(=O)NC3=O)c4cccc5c4[nH]nc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccc(c1)c2c[nH]cn2)N3C=C(C(=O)NC3=O)c4cccc5c4[nH]nc5 |
