A1AP9
Summary
| Name: | (5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione |
| Formula: | C7 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 169.181 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-1,3,9-triazaspiro[4.5]decane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)NC21CCCNC2 |
| InChI | InChI | 1.06 | InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | PLFDWSDBRBNQLQ-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)[C@@]2(CCCNC2)N1 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)[C]2(CCCNC2)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@]2(CNC1)C(=O)NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC2(CNC1)C(=O)NC(=O)N2 |
