KM2
Summary
| Name: | 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide |
| Formula: | C12 H16 N4 S |
| Formal charge: | 0 |
| Formula weight: | 248.347 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16N4S/c1-7(6-13)16-9-4-2-3-8-5-10(12(14)15)17-11(8)9/h2-5,7,16H,6,13H2,1H3,(H3,14,15)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ZAZAVGHCOORPKF-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CN)Nc1cccc2cc(sc12)C(N)=N |
| SMILES | CACTVS | 3.385 | C[CH](CN)Nc1cccc2cc(sc12)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc2cccc(c2s1)N[C@@H](C)CN)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CN)Nc1cccc2c1sc(c2)C(=N)N |
