EDP
Summary
| Name: | 5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione |
| Synonyms: | Thiopental |
| Formula: | C11 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 242.338 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione |
| OpenEye OEToolkits | 1.7.0 | 5-ethyl-5-[(2R)-pentan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=S)NC(=O)C1(C(C)CCC)CC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC[C@@H](C)C1(CC)C(=O)NC(=S)NC1=O |
| SMILES | CACTVS | 3.370 | CCC[CH](C)C1(CC)C(=O)NC(=S)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCC[C@@H](C)C1(C(=O)NC(=S)NC1=O)CC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCC(C)C1(C(=O)NC(=S)NC1=O)CC |
| InChI | InChI | 1.03 | InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | IUJDSEJGGMCXSG-SSDOTTSWSA-N |
