A1IMN
Summary
| Name: | 1-(1H-indol-6-yl)-1,3-diazinane-2,4-dione |
| Synonyms: | 1-(1H-indol-6-yl)dihydro-2,4(1H,3H)-pyrimidinedione |
| Formula: | C12 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 229.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(1~{H}-indol-6-yl)-1,3-diazinane-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H11N3O2/c16-11-4-6-15(12(17)14-11)9-2-1-8-3-5-13-10(8)7-9/h1-3,5,7,13H,4,6H2,(H,14,16,17) |
| InChIKey | InChI | 1.06 | RYEZBXXJPZGMGF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCN(C(=O)N1)c2ccc3cc[nH]c3c2 |
| SMILES | CACTVS | 3.385 | O=C1CCN(C(=O)N1)c2ccc3cc[nH]c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc[nH]2)N3CCC(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc[nH]2)N3CCC(=O)NC3=O |
