JXQ
Summary
| Name: | 9-hex-5-ynylpurin-6-amine |
| Formula: | C11 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 215.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-hex-5-ynylpurin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13N5/c1-2-3-4-5-6-16-8-15-9-10(12)13-7-14-11(9)16/h1,7-8H,3-6H2,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | VJWZTRUHTCSPRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(CCCCC#C)cnc12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(CCCCC#C)cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCCCCn1cnc2c1ncnc2N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCCCCn1cnc2c1ncnc2N |
