Summary
| Name: | ADENINE |
| Formula: | C5 H5 N5 |
| Formal charge: | 0 |
| Formula weight: | 135.127 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 9H-purin-6-amine |
| OpenEye OEToolkits | 1.5.0 | 9H-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c2ncnc2nc1)N |
| InChI | InChI | 1.02b | InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)/f/h9H,6H2 |
| InChIKey | InChI | 1.02b | GFFGJBXGBJISGV-KYDDBTJZCX |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2[nH]cnc12 |
| SMILES | CACTVS | 3.341 | Nc1ncnc2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(ncn2)N |
