JYQ
Summary
| Name: | ~{S}-[4-(6-aminopurin-9-yl)butyl] ethanethioate |
| Formula: | C11 H15 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 265.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{S}-[4-(6-aminopurin-9-yl)butyl] ethanethioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5OS/c1-8(17)18-5-3-2-4-16-7-15-9-10(12)13-6-14-11(9)16/h6-7H,2-5H2,1H3,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | MLUWWHOQAYWORL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)SCCCCn1cnc2c(N)ncnc12 |
| SMILES | CACTVS | 3.385 | CC(=O)SCCCCn1cnc2c(N)ncnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)SCCCCn1cnc2c1ncnc2N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)SCCCCn1cnc2c1ncnc2N |
