301
Summary
| Name: | N6-(penta-2,3-dienyl)adenine |
| Synonyms: | N-[(1E,3Z)-pent-3-en-1-ylidene]-9H-purin-6-amine |
| Formula: | C10 H11 N5 |
| Formal charge: | 0 |
| Formula weight: | 201.228 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(1E,3Z)-pent-3-en-1-ylidene]-9H-purin-6-amine |
| OpenEye OEToolkits | 1.5.0 | (Z)-N-(9H-purin-6-yl)pent-3-en-1-imine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(\N=C\C\C=C/C)c2ncnc2nc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | C\C=C/CC=Nc1ncnc2[nH]cnc12 |
| SMILES | CACTVS | 3.341 | CC=CCC=Nc1ncnc2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C\C=C/C\C=N\c1c2c([nH]cn2)ncn1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC=CCC=Nc1c2c([nH]cn2)ncn1 |
| InChI | InChI | 1.03 | InChI=1S/C10H11N5/c1-2-3-4-5-11-9-8-10(13-6-12-8)15-7-14-9/h2-3,5-7H,4H2,1H3,(H,12,13,14,15)/b3-2-,11-5+ |
| InChIKey | InChI | 1.03 | ZZNYJUJEPRMVEH-OKBMCRLZSA-N |
