RI8
Summary
| Name: | 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide |
| Formula: | C16 H15 F2 N5 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 427.449 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 4-azanyl-N-[2,6-bis(fluoranyl)-3-(propylsulfonylamino)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ccc(F)c(c1F)NC(=O)c2c3ncnc(c3sc2)N)CCC |
| InChI | InChI | 1.03 | InChI=1S/C16H15F2N5O3S2/c1-2-5-28(25,26)23-10-4-3-9(17)13(11(10)18)22-16(24)8-6-27-14-12(8)20-7-21-15(14)19/h3-4,6-7,23H,2,5H2,1H3,(H,22,24)(H2,19,20,21) |
| InChIKey | InChI | 1.03 | WWRQXSNKYPVJOU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC[S](=O)(=O)Nc1ccc(F)c(NC(=O)c2csc3c(N)ncnc23)c1F |
| SMILES | CACTVS | 3.370 | CCC[S](=O)(=O)Nc1ccc(F)c(NC(=O)c2csc3c(N)ncnc23)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)c2csc3c2ncnc3N)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCS(=O)(=O)Nc1ccc(c(c1F)NC(=O)c2csc3c2ncnc3N)F |
