K6T
Summary
| Name: | 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide |
| Formula: | C17 H16 N4 S |
| Formal charge: | 0 |
| Formula weight: | 308.401 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4S/c18-12-7-4-8-13(9-12)21-17-14(10-15(22-17)16(19)20)11-5-2-1-3-6-11/h1-10,21H,18H2,(H3,19,20) |
| InChIKey | InChI | 1.03 | LZGYXCFYIGRPJS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1sc(Nc2cccc(N)c2)c(c1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | NC(=N)c1sc(Nc2cccc(N)c2)c(c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc(c(s1)Nc2cccc(c2)N)c3ccccc3)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(sc2Nc3cccc(c3)N)C(=N)N |
