CK5
Summary
| Name: | 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL |
| Formula: | C15 H14 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 298.363 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}phenol |
| OpenEye OEToolkits | 1.5.0 | 3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c(c1sc(nc1C)C)ccnc2Nc3cccc(O)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1sc(c(C)n1)c2ccnc(Nc3cccc(O)c3)n2 |
| SMILES | CACTVS | 3.341 | Cc1sc(c(C)n1)c2ccnc(Nc3cccc(O)c3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3cccc(c3)O |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(20)8-11/h3-8,20H,1-2H3,(H,16,18,19) |
| InChIKey | InChI | 1.03 | JJDRRZFRTKZLFT-UHFFFAOYSA-N |
