IUE
Summary
| Name: | 3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide |
| Formula: | C13 H14 Cl N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 311.787 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 3-azanyl-5-chloranyl-~{N}-cyclopropyl-6-methoxy-4-methyl-thieno[2,3-b]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1c(Cl)c(nc2sc(c(N)c12)C(=O)NC1CC1)OC |
| InChI | InChI | 1.03 | InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18) |
| InChIKey | InChI | 1.03 | CTEGQKDJTBWFHW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl |
| SMILES | CACTVS | 3.385 | COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c(sc2nc(c1Cl)OC)C(=O)NC3CC3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c(sc2nc(c1Cl)OC)C(=O)NC3CC3)N |
