L21
Summary
| Name: | 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine |
| Formula: | C10 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 203.244 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine |
| OpenEye OEToolkits | 1.6.1 | 3-(3-methylbut-2-enyl)purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N=1C2=C(N=CN(C2=NC=1)C\C=C(/C)C)N |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)=CCn1cnc(N)c2ncnc12 |
| SMILES | CACTVS | 3.352 | CC(C)=CCn1cnc(N)c2ncnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(=CCn1cnc(c-2ncnc12)N)C |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(=CCn1cnc(c-2ncnc12)N)C |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6H,4,11H2,1-2H3 |
| InChIKey | InChI | 1.03 | BEPGTHDUUROBHM-UHFFFAOYSA-N |
