ZIP
Summary
| Name: | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE |
| Synonyms: | ISOPENTENYLADENINE |
| Formula: | C10 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 203.244 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine |
| OpenEye OEToolkits | 1.5.0 | N-(3-methylbut-2-enyl)-9H-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c1c(ncn1)c(nc2)NC\C=C(/C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)=CCNc1ncnc2[nH]cnc12 |
| SMILES | CACTVS | 3.341 | CC(C)=CCNc1ncnc2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=CCNc1c2c([nH]cn2)ncn1)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CCNc1c2c([nH]cn2)ncn1)C |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) |
| InChIKey | InChI | 1.03 | HYVABZIGRDEKCD-UHFFFAOYSA-N |
