BTI
Summary
| Name: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL |
| Formula: | C10 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 228.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanal |
| OpenEye OEToolkits | 1.5.0 | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC2C(SCC2N1)CCCCC=O |
| SMILES_CANONICAL | CACTVS | 3.341 | O=CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |
| SMILES | CACTVS | 3.341 | O=CCCCC[CH]1SC[CH]2NC(=O)N[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C2C(C(S1)CCCCC=O)NC(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h5,7-9H,1-4,6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | ARDNWGMSCXSPBF-CIUDSAMLSA-N |
