JYB
Summary
| Name: | 9-ethyl-8-ethynyl-purin-6-amine |
| Formula: | C9 H9 N5 |
| Formal charge: | 0 |
| Formula weight: | 187.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-ethyl-8-ethynyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9N5/c1-3-6-13-7-8(10)11-5-12-9(7)14(6)4-2/h1,5H,4H2,2H3,(H2,10,11,12) |
| InChIKey | InChI | 1.03 | AZRUGQVPCIZUAB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(nc2c(N)ncnc12)C#C |
| SMILES | CACTVS | 3.385 | CCn1c(nc2c(N)ncnc12)C#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c(nc2c1ncnc2N)C#C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c(nc2c1ncnc2N)C#C |
