A1JGH
Summary
| Name: | 4-(azetidin-1-yl)-2-isoquinolin-4-yl-thieno[2,3-d]pyrimidine |
| Formula: | C18 H14 N4 S |
| Formal charge: | 0 |
| Formula weight: | 318.396 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(azetidin-1-yl)-2-isoquinolin-4-yl-thieno[2,3-d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H14N4S/c1-2-5-13-12(4-1)10-19-11-15(13)16-20-17(22-7-3-8-22)14-6-9-23-18(14)21-16/h1-2,4-6,9-11H,3,7-8H2 |
| InChIKey | InChI | 1.06 | IPBQBMBMLXGYGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN(C1)c2nc(nc3sccc23)c4cncc5ccccc45 |
| SMILES | CACTVS | 3.385 | C1CN(C1)c2nc(nc3sccc23)c4cncc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2c3nc(c4ccsc4n3)N5CCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cncc2c3nc(c4ccsc4n3)N5CCC5 |
