8G8
Summary
| Name: | 2-chloranyl-9-methyl-purine |
| Formula: | C6 H5 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 168.584 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-chloranyl-9-methyl-purine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H5ClN4/c1-11-3-9-4-2-8-6(7)10-5(4)11/h2-3H,1H3 |
| InChIKey | InChI | 1.03 | AMVDDOZWEOPXRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnc2cnc(Cl)nc12 |
| SMILES | CACTVS | 3.385 | Cn1cnc2cnc(Cl)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cnc2c1nc(nc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cnc2c1nc(nc2)Cl |
