A1IDF
Summary
| Name: | ~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine |
| Formula: | C17 H15 N5 S |
| Formal charge: | 0 |
| Formula weight: | 321.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H15N5S/c1-11-9-22(2)21-17(11)20-15-4-3-14-16(19-15)13(10-23-14)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,20,21) |
| InChIKey | InChI | 1.06 | WEAHBTIIZJSGDN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(C)c(Nc2ccc3scc(c4ccncc4)c3n2)n1 |
| SMILES | CACTVS | 3.385 | Cn1cc(C)c(Nc2ccc3scc(c4ccncc4)c3n2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cn(nc1Nc2ccc3c(n2)c(cs3)c4ccncc4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cn(nc1Nc2ccc3c(n2)c(cs3)c4ccncc4)C |
