06K
Summary
| Name: | 2,6-bis(chloranyl)-7H-purine |
| Synonyms: | 2,6-dichloropurine |
| Formula: | C5 H2 Cl2 N4 |
| Formal charge: | 0 |
| Formula weight: | 189.002 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,6-bis(chloranyl)-7~{H}-purine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11) |
| InChIKey | InChI | 1.03 | RMFWVOLULURGJI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1nc(Cl)c2[nH]cnc2n1 |
| SMILES | CACTVS | 3.385 | Clc1nc(Cl)c2[nH]cnc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1[nH]c2c(n1)nc(nc2Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1[nH]c2c(n1)nc(nc2Cl)Cl |
