I49
Summary
| Name: | 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine |
| Formula: | C10 H13 Cl I N5 |
| Formal charge: | 0 |
| Formula weight: | 365.601 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13ClIN5/c11-7-5-6(1-2-8(7)12)3-4-16-10(15)17-9(13)14/h1-2,5H,3-4H2,(H6,13,14,15,16,17) |
| InChIKey | InChI | 1.06 | ZTSDUAUVRSWDNM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NC(=N)NCCc1ccc(I)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | NC(=N)NC(=N)NCCc1ccc(I)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/N/C(=N\[H])/NCCc1ccc(c(c1)Cl)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCNC(=N)NC(=N)N)Cl)I |
