LJW
Summary
| Name: | 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
| Formula: | C13 H17 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 263.359 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3OS/c1-7(2)17-10-5-4-9(16-3)8-6-11(13(14)15)18-12(8)10/h4-7,16H,1-3H3,(H3,14,15) |
| InChIKey | InChI | 1.03 | JUDKCNJFPGEXCT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ccc(OC(C)C)c2sc(cc12)C(N)=N |
| SMILES | CACTVS | 3.385 | CNc1ccc(OC(C)C)c2sc(cc12)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc2c(ccc(c2s1)OC(C)C)NC)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)NC |
