QQ1
Summary
| Name: | 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE |
| Formula: | C21 H22 N6 S |
| Formal charge: | 0 |
| Formula weight: | 390.505 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[1-(cyclohexylmethyl)-4-phenyl-1H-imidazol-5-yl][1,3]thiazolo[5,4-d]pyrimidin-7-amine |
| OpenEye OEToolkits | 1.6.1 | 2-[3-(cyclohexylmethyl)-5-phenyl-imidazol-4-yl]-[1,3]thiazolo[4,5-e]pyrimidin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c2nc(sc2nc1)c3c(ncn3CC4CCCCC4)c5ccccc5)N |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1ncnc2sc(nc12)c3n(CC4CCCCC4)cnc3c5ccccc5 |
| SMILES | CACTVS | 3.352 | Nc1ncnc2sc(nc12)c3n(CC4CCCCC4)cnc3c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)c2c(n(cn2)CC3CCCCC3)c4nc5c(ncnc5s4)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)c2c(n(cn2)CC3CCCCC3)c4nc5c(ncnc5s4)N |
| InChI | InChI | 1.03 | InChI=1S/C21H22N6S/c22-19-17-20(24-12-23-19)28-21(26-17)18-16(15-9-5-2-6-10-15)25-13-27(18)11-14-7-3-1-4-8-14/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2,(H2,22,23,24) |
| InChIKey | InChI | 1.03 | FACMGTJQTMTYEF-UHFFFAOYSA-N |
