39A
Summary
| Name: | 6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM |
| Synonyms: | 3,9-DIMETHYLADENINE |
| Formula: | C7 H10 N5 |
| Formal charge: | 1 |
| Formula weight: | 164.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-amino-3,9-dimethyl-9H-purin-3-ium |
| OpenEye OEToolkits | 1.5.0 | 3,9-dimethylpurin-3-ium-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c[n+](c1c(ncn1C)c2N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1cnc2c(N)nc[n+](C)c12 |
| SMILES | CACTVS | 3.341 | Cn1cnc2c(N)nc[n+](C)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cnc2c1[n+](cnc2N)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cnc2c1[n+](cnc2N)C |
| InChI | InChI | 1.03 | InChI=1S/C7H9N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3-4,8H,1-2H3/p+1 |
| InChIKey | InChI | 1.03 | YXTNRNJPEDJTNF-UHFFFAOYSA-O |
