9V3
Summary
| Name: | 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone |
| Formula: | C19 H25 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 343.486 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(2-methylpropylamino)-1-[(4~{R})-4-(6-methylpyridin-2-yl)-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H25N3OS/c1-13(2)11-20-12-18(23)22-9-7-17-15(8-10-24-17)19(22)16-6-4-5-14(3)21-16/h4-6,8,10,13,19-20H,7,9,11-12H2,1-3H3/t19-/m1/s1 |
| InChIKey | InChI | 1.06 | OVUGAMKQXDOHDJ-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CNCC(=O)N1CCc2sccc2[C@@H]1c3cccc(C)n3 |
| SMILES | CACTVS | 3.385 | CC(C)CNCC(=O)N1CCc2sccc2[CH]1c3cccc(C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(n1)[C@H]2c3ccsc3CCN2C(=O)CNCC(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(n1)C2c3ccsc3CCN2C(=O)CNCC(C)C |
