GSY
Summary
| Name: | 7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE |
| Formula: | C7 H9 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 227.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-7-(2-hydroxyethyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one |
| OpenEye OEToolkits | 1.9.2 | 2-azanyl-7-(2-hydroxyethyl)-8-sulfanyl-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2c(N=C(N1)N)nc(S)n2CCO |
| InChI | InChI | 1.03 | InChI=1S/C7H9N5O2S/c8-6-9-4-3(5(14)11-6)12(1-2-13)7(15)10-4/h13H,1-2H2,(H4,8,9,10,11,14,15) |
| InChIKey | InChI | 1.03 | OYFBJNRCXXDVIZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2nc(S)n(CCO)c2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2nc(S)n(CCO)c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CO)n1c2c(nc1S)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CO)n1c2c(nc1S)N=C(NC2=O)N |
