DEY
Summary
| Name: | (2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide |
| Synonyms: | (2R)-2-({3-[5-HYDROXY-2-(3-METHYLBUTYL)-3-OXO-6-THIOPHEN-2-YL-2,3-DIHYDROPYRIDAZIN-4-YL]-1,1-DIOXO-2H-1,2,4-BENZOTHIADI AZIN-7-YL}OXY)PROPANAMIDE |
| Formula: | C23 H25 N5 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 531.604 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)propanamide |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-pyridazin-4-yl]-1,1-dioxo-2H-benzo[e][1,2,4]thiadiazin-7-yl]oxy]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)C(Oc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C(=NN(C3=O)CCC(C)C)c4sccc4)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CCN1N=C(C(=C(C1=O)C2=Nc3ccc(O[C@H](C)C(N)=O)cc3[S](=O)(=O)N2)O)c4sccc4 |
| SMILES | CACTVS | 3.341 | CC(C)CCN1N=C(C(=C(C1=O)C2=Nc3ccc(O[CH](C)C(N)=O)cc3[S](=O)(=O)N2)O)c4sccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)O[C@H](C)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OC(C)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C23H25N5O6S2/c1-12(2)8-9-28-23(31)18(20(29)19(26-28)16-5-4-10-35-16)22-25-15-7-6-14(34-13(3)21(24)30)11-17(15)36(32,33)27-22/h4-7,10-13,29H,8-9H2,1-3H3,(H2,24,30)(H,25,27)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | BPHLZVCJUQBQLM-CYBMUJFWSA-N |
