5CB
Summary
| Name: | N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE |
| Formula: | C22 H23 Cl2 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 492.421 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-[(2R,6S)-2-chloro-6-hydroxy-5-[(2-pyridin-2-ylethyl)amino]-3,6-dihydropyrazin-1(2H)-yl]acetamide |
| OpenEye OEToolkits | 1.5.0 | N-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-[6-chloro-2-hydroxy-3-(2-pyridin-2-ylethylamino)-5,6-dihydro-2H-pyrazin-1-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClC1N(C(O)C(=NC1)NCCc2ncccc2)CC(=O)NCc3c4cc(Cl)ccc4sc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1N(CC(=O)NCc2csc3ccc(Cl)cc23)[C@H](Cl)CN=C1NCCc4ccccn4 |
| SMILES | CACTVS | 3.341 | O[CH]1N(CC(=O)NCc2csc3ccc(Cl)cc23)[CH](Cl)CN=C1NCCc4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)CCNC2=NCC(N(C2O)CC(=O)NCc3csc4c3cc(cc4)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C22H23Cl2N5O2S/c23-15-4-5-18-17(9-15)14(13-32-18)10-27-20(30)12-29-19(24)11-28-21(22(29)31)26-8-6-16-3-1-2-7-25-16/h1-5,7,9,13,19,22,31H,6,8,10-12H2,(H,26,28)(H,27,30)/t19-,22-/m0/s1 |
| InChIKey | InChI | 1.03 | SOBGXPPOYFFGTK-UGKGYDQZSA-N |
