GI7
Summary
| Name: | 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine |
| Formula: | C13 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 261.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H19N5O/c1-10(19)17-6-8-18(9-7-17)12-4-2-11(3-5-12)16-13(14)15/h2-5H,6-9H2,1H3,(H4,14,15,16) |
| InChIKey | InChI | 1.06 | MSILSEAASITEGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccc(NC(N)=N)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccc(NC(N)=N)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\Nc1ccc(cc1)N2CCN(CC2)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)c2ccc(cc2)NC(=N)N |
