K7Q
Summary
| Name: | ~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide |
| Formula: | C13 H16 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 292.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-azanylethyl)-2-carbamimidoyl-7-methoxy-1-benzothiophene-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4O2S/c1-19-9-3-2-7(13(18)17-5-4-14)8-6-10(12(15)16)20-11(8)9/h2-3,6H,4-5,14H2,1H3,(H3,15,16)(H,17,18) |
| InChIKey | InChI | 1.03 | WRRHKUDSYQSTFX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C(=O)NCCN)c2cc(sc12)C(N)=N |
| SMILES | CACTVS | 3.385 | COc1ccc(C(=O)NCCN)c2cc(sc12)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1cc2c(ccc(c2s1)OC)C(=O)NCCN)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(c2c1sc(c2)C(=N)N)C(=O)NCCN |
