55Z
Summary
| Name: | 5-azanyl-N-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide |
| Formula: | C24 H30 N6 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 514.663 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-azanyl-~{N}-~{tert}-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H30N6O3S2/c1-24(2,3)29-21(32)20-18(25)17-19(27-23(34-4)28-22(17)35-20)14-6-5-7-15(12-14)26-16(31)13-30-8-10-33-11-9-30/h5-7,12H,8-11,13,25H2,1-4H3,(H,26,31)(H,29,32) |
| InChIKey | InChI | 1.03 | UWTXKCMCTINMHD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(n1)c3cccc(NC(=O)CN4CCOCC4)c3 |
| SMILES | CACTVS | 3.385 | CSc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(n1)c3cccc(NC(=O)CN4CCOCC4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)NC(=O)c1c(c2c(nc(nc2s1)SC)c3cccc(c3)NC(=O)CN4CCOCC4)N |
