AK2
Summary
| Name: | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea |
| Formula: | C18 H15 Cl N6 O S2 |
| Formal charge: | 0 |
| Formula weight: | 430.934 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea |
| OpenEye OEToolkits | 1.5.0 | 1-(3-chlorophenyl)-3-[5-[2-(thieno[2,3-e]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cccc(c1)NC(=O)Nc2ncc(s2)CCNc4ncnc3c4scc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1cccc(NC(=O)Nc2sc(CCNc3ncnc4ccsc34)cn2)c1 |
| SMILES | CACTVS | 3.341 | Clc1cccc(NC(=O)Nc2sc(CCNc3ncnc4ccsc34)cn2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Cl)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3 |
| InChI | InChI | 1.03 | InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26) |
| InChIKey | InChI | 1.03 | FAYAUAZLLLJJGH-UHFFFAOYSA-N |
