S8E
Summary
| Name: | 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine |
| Formula: | C9 H19 Br N5 O4 P |
| Formal charge: | 0 |
| Formula weight: | 372.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H19BrN5O4P/c1-3-12-20(18,13-5-4-10)19-7-8-6-11-9(14(8)2)15(16)17/h6,16-17H,3-5,7H2,1-2H3,(H2,12,13,18)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | GTMVCVDSEXJDHD-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN[P@](=O)(NCCBr)OCc1cnc(N(O)O)n1C |
| SMILES | CACTVS | 3.385 | CCN[P](=O)(NCCBr)OCc1cnc(N(O)O)n1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN[P@](=O)(NCCBr)OCc1cnc(n1C)N(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNP(=O)(NCCBr)OCc1cnc(n1C)N(O)O |
