R0C
Summary
| Name: | (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide |
| Formula: | C19 H21 N7 O2 S |
| Formal charge: | 0 |
| Formula weight: | 411.481 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H21N7O2S/c1-28-16(13-6-3-2-4-7-13)17(27)22-19-25-24-18(29-19)21-14-9-11-26(12-14)15-8-5-10-20-23-15/h2-8,10,14,16H,9,11-12H2,1H3,(H,21,24)(H,22,25,27)/t14-,16+/m1/s1 |
| InChIKey | InChI | 1.06 | KLQLQDLJJUAEGT-ZBFHGGJFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H](C(=O)Nc1sc(N[C@@H]2CCN(C2)c3cccnn3)nn1)c4ccccc4 |
| SMILES | CACTVS | 3.385 | CO[CH](C(=O)Nc1sc(N[CH]2CCN(C2)c3cccnn3)nn1)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CO[C@@H](c1ccccc1)C(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4cccnn4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(c1ccccc1)C(=O)Nc2nnc(s2)NC3CCN(C3)c4cccnn4 |
