A1I56
Summary
| Name: | 5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Formula: | C12 H11 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 277.299 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11N3O3S/c1-18-8-4-2-3-7(5-8)13-6-9-10(16)14-12(19)15-11(9)17/h2-6,13H,1H3,(H2,14,15,16,17,19) |
| InChIKey | InChI | 1.06 | TZPFBBAMHDIRBM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)NC=C2C(=O)NC(=S)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)NC=C2C(=O)NC(=S)NC2=O |
