AW7
Summary
| Name: | 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine |
| Formula: | C13 H10 N4 O |
| Formal charge: | 0 |
| Formula weight: | 238.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H10N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-9H,(H,16,17) |
| InChIKey | InChI | 1.03 | DUEUESIXAVJTRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1ccc(n1)c2ccc(Oc3ncccn3)cc2 |
| SMILES | CACTVS | 3.385 | [nH]1ccc(n1)c2ccc(Oc3ncccn3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3 |
