K92
Summary
| Name: | 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide |
| Formula: | C16 H17 N5 S |
| Formal charge: | 0 |
| Formula weight: | 311.405 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17N5S/c17-6-7-21-10-20-9-13(21)15-12(8-14(22-15)16(18)19)11-4-2-1-3-5-11/h1-5,8-10H,6-7,17H2,(H3,18,19) |
| InChIKey | InChI | 1.03 | NTJUXVTZPMWWMS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCn1cncc1c2sc(cc2c3ccccc3)C(N)=N |
| SMILES | CACTVS | 3.385 | NCCn1cncc1c2sc(cc2c3ccccc3)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1cc(c(s1)c2cncn2CCN)c3ccccc3)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(sc2c3cncn3CCN)C(=N)N |
