XQG
Summary
| Name: | 6-METHYLSULFANYL-9H-PURINE |
| Formula: | C6 H6 N4 S |
| Formal charge: | 0 |
| Formula weight: | 166.204 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 6-methylsulfanyl-9H-purine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CSc1ncnc2[nH]cnc12 |
| SMILES | CACTVS | 3.352 | CSc1ncnc2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CSc1c2c([nH]cn2)ncn1 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CSc1c2c([nH]cn2)ncn1 |
| InChI | InChI | 1.03 | InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10) |
| InChIKey | InChI | 1.03 | UIJIQXGRFSPYQW-UHFFFAOYSA-N |
