1X7
Summary
| Name: | 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide |
| Formula: | C8 H6 Br N3 O S |
| Formal charge: | 0 |
| Formula weight: | 272.122 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 4-azanyl-2-bromanyl-thieno[3,2-c]pyridine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2c1sc(Br)cc1c(nc2)N)N |
| InChI | InChI | 1.03 | InChI=1S/C8H6BrN3OS/c9-5-1-3-6(14-5)4(8(11)13)2-12-7(3)10/h1-2H,(H2,10,12)(H2,11,13) |
| InChIKey | InChI | 1.03 | KBJKAURPHBWEOT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cnc(N)c2cc(Br)sc12 |
| SMILES | CACTVS | 3.385 | NC(=O)c1cnc(N)c2cc(Br)sc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c(c(cnc2N)C(=O)N)sc1Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c(c(cnc2N)C(=O)N)sc1Br |
