A1LV5
Summary
| Name: | 1-(4-chlorophenyl)-3-[~{N}-[4-[[~{N}-[~{N}-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]butyl]carbamimidoyl]guanidine |
| Formula: | C20 H26 Cl2 N10 |
| Formal charge: | 0 |
| Formula weight: | 477.393 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-chlorophenyl)-3-[~{N}-[4-[[~{N}-[~{N}-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]butyl]carbamimidoyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H26Cl2N10/c21-13-3-7-15(8-4-13)29-19(25)31-17(23)27-11-1-2-12-28-18(24)32-20(26)30-16-9-5-14(22)6-10-16/h3-10H,1-2,11-12H2,(H5,23,25,27,29,31)(H5,24,26,28,30,32) |
| InChIKey | InChI | 1.06 | LOQFOZRLPPGNQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(NC(=N)NC(=N)NCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(NC(=N)NC(=N)NCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N/C(=N/[H])/Nc1ccc(cc1)Cl)/NCCCCN/C(=N/[H])/N/C(=N/[H])/Nc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=N)NC(=N)NCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl)Cl |
