PKU
Summary
| Name: | 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide |
| Formula: | C6 H7 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 203.037 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H7BrN2O/c1-8-6(10)5-2-4(7)3-9-5/h2-3,9H,1H3,(H,8,10) |
| InChIKey | InChI | 1.03 | HQGRBJIXXLIGLE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1[nH]cc(Br)c1 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1[nH]cc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNC(=O)c1cc(c[nH]1)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC(=O)c1cc(c[nH]1)Br |
