IT6
Summary
| Name: | 2-chloranyl-~{N},9-dimethyl-purin-6-amine |
| Formula: | C7 H8 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 197.625 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N},9-dimethyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H8ClN5/c1-9-5-4-6(12-7(8)11-5)13(2)3-10-4/h3H,1-2H3,(H,9,11,12) |
| InChIKey | InChI | 1.06 | QJIKFSSGNBZNAI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2n(C)cnc12 |
| SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2n(C)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)C |
