VQF
Summary
| Name: | (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione |
| Formula: | C9 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 197.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione |
| OpenEye OEToolkits | 2.0.7 | 6-azanylidene-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN1C(=O)C(CCC)C(=N)N(C)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h6,10H,4-5H2,1-3H3/b10-7-/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | HYOCAKGKTNODNY-FQUWQITNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@H]1C(=N)N(C)C(=O)N(C)C1=O |
| SMILES | CACTVS | 3.385 | CCC[CH]1C(=N)N(C)C(=O)N(C)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/C(C(=O)N(C(=O)N1C)C)CCC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC1C(=N)N(C(=O)N(C1=O)C)C |
