9JN
Summary
| Name: | ~{N}-[(1~{S})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide |
| Formula: | C20 H18 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 362.448 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(1~{S})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H18N4OS/c21-10-17(13-5-2-1-3-6-13)24-20(25)18-9-14(12-26-18)16-11-23-19-15(16)7-4-8-22-19/h1-9,11-12,17H,10,21H2,(H,22,23)(H,24,25)/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | ZNBOMXQVNVLXCZ-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@@H](NC(=O)c1scc(c1)c2c[nH]c3ncccc23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | NC[CH](NC(=O)c1scc(c1)c2c[nH]c3ncccc23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@@H](CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(CN)NC(=O)c2cc(cs2)c3c[nH]c4c3cccn4 |
