RJ4
Summary
| Name: | (4aR,7aR,9R)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carbaldehyde |
| Formula: | C11 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 219.24 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3O2/c15-6-14-3-7-1-9-10-8(12-5-13-10)2-11(7,4-14)16-9/h5-7,9H,1-4H2,(H,12,13)/t7-,9-,11+/m1/s1 |
| InChIKey | InChI | 1.03 | XRNLVBAEYBLIIG-ZOFUNIGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=CN1C[C@H]2C[C@H]3O[C@]2(C1)Cc4[nH]cnc34 |
| SMILES | CACTVS | 3.385 | O=CN1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1[nH]c2c(n1)[C@H]3C[C@@H]4CN(C[C@]4(C2)O3)C=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1[nH]c2c(n1)C3CC4CN(CC4(C2)O3)C=O |
