K6N
Summary
| Name: | 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide |
| Formula: | C13 H13 N5 S |
| Formal charge: | 0 |
| Formula weight: | 271.341 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13N5S/c1-7-6-18(17-13(7)16)9-4-2-3-8-5-10(12(14)15)19-11(8)9/h2-6H,1H3,(H3,14,15)(H2,16,17) |
| InChIKey | InChI | 1.03 | WSXJHZMHUGMEOM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(nc1N)c2cccc3cc(sc23)C(N)=N |
| SMILES | CACTVS | 3.385 | Cc1cn(nc1N)c2cccc3cc(sc23)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc2cccc(c2s1)n3cc(c(n3)N)C)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cn(nc1N)c2cccc3c2sc(c3)C(=N)N |
