HA8
Summary
| Name: | N6-(buta-2,3-dienyl)adenine |
| Formula: | C9 H9 N5 |
| Formal charge: | 0 |
| Formula weight: | 187.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(1E)-but-3-en-1-ylidene]-7H-purin-6-amine |
| OpenEye OEToolkits | 1.5.0 | N-(7H-purin-6-yl)but-3-en-1-imine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(\N=C\C\C=C)c2c(nc1)ncn2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C=CCC=Nc1ncnc2nc[nH]c12 |
| SMILES | CACTVS | 3.341 | C=CCC=Nc1ncnc2nc[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=CC\C=N\c1c2c(nc[nH]2)ncn1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CCC=Nc1c2c(nc[nH]2)ncn1 |
| InChI | InChI | 1.03 | InChI=1S/C9H9N5/c1-2-3-4-10-8-7-9(12-5-11-7)14-6-13-8/h2,4-6H,1,3H2,(H,11,12,13,14)/b10-4+ |
| InChIKey | InChI | 1.03 | FOLHQMCIMSOVSL-ONNFQVAWSA-N |
