SD7
Summary
| Name: | 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide |
| Formula: | C14 H19 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 277.385 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H19N3OS/c1-8(7-15)5-9-3-4-11(18-2)13-10(9)6-12(19-13)14(16)17/h3-4,6,8H,5,7,15H2,1-2H3,(H3,16,17)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | HWNLBEKYMLWJTF-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C[C@H](C)CN)c2cc(sc12)C(N)=N |
| SMILES | CACTVS | 3.385 | COc1ccc(C[CH](C)CN)c2cc(sc12)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc2c(ccc(c2s1)OC)C[C@H](C)CN)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cc1ccc(c2c1cc(s2)C(=N)N)OC)CN |
