S1W
Summary
| Name: | 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol |
| Formula: | C18 H18 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 322.361 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18N4O2/c1-22(2)14-6-4-8-16(10-14)24-17-11-19-18(20-12-17)21-13-5-3-7-15(23)9-13/h3-12,23H,1-2H3,(H,19,20,21) |
| InChIKey | InChI | 1.03 | MFPAAKZZUIRMKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1 |
| SMILES | CACTVS | 3.385 | CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1cccc(c1)Oc2cnc(nc2)Nc3cccc(c3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1cccc(c1)Oc2cnc(nc2)Nc3cccc(c3)O |
