SG0
Summary
| Name: | 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
| Formula: | C13 H17 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 279.358 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17N3O2S/c1-6(2)18-9-4-3-7(13(16)17)8-5-10(12(14)15)19-11(8)9/h3-6,13,17H,16H2,1-2H3,(H3,14,15)/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | AHQCRVYDVIFTJY-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc([C@H](N)O)c2cc(sc12)C(N)=N |
| SMILES | CACTVS | 3.385 | CC(C)Oc1ccc([CH](N)O)c2cc(sc12)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc2c(ccc(c2s1)OC(C)C)[C@H](N)O)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)C(N)O |
