PM6
Summary
| Name: | 9H-purine-6-thiol |
| Synonyms: | 6-Mercaptopurine |
| Formula: | C5 H4 N4 S |
| Formal charge: | 0 |
| Formula weight: | 152.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9H-purine-6-thiol |
| OpenEye OEToolkits | 1.5.0 | 9H-purine-6-thiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(ncn1)c(nc2)S |
| SMILES_CANONICAL | CACTVS | 3.341 | Sc1ncnc2[nH]cnc12 |
| SMILES | CACTVS | 3.341 | Sc1ncnc2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(ncn2)S |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(ncn2)S |
| InChI | InChI | 1.03 | InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) |
| InChIKey | InChI | 1.03 | GLVAUDGFNGKCSF-UHFFFAOYSA-N |
