XH5
Summary
| Name: | (5S)-5-methyl-1,3-diazinane-2,4-dione |
| Formula: | C5 H8 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 128.129 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S)-5-methyl-1,3-diazinane-2,4-dione |
| OpenEye OEToolkits | 2.0.7 | (5~{S})-5-methyl-1,3-diazinane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)C(C)CN1 |
| InChI | InChI | 1.06 | InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)/t3-/m0/s1 |
| InChIKey | InChI | 1.06 | NBAKTGXDIBVZOO-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CNC(=O)NC1=O |
| SMILES | CACTVS | 3.385 | C[CH]1CNC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CNC(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CNC(=O)NC1=O |
