8NX
Summary
| Name: | 8-nitro-3,7-dihydro-1H-purine-2,6-dione |
| Synonyms: | 8-nitro xanthine |
| Formula: | C5 H3 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 197.108 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 8-nitro-3,7-dihydropurine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | [O-][N+](=O)c1[nH]c2C(=O)NC(=O)Nc2n1 |
| SMILES | CACTVS | 3.352 | [O-][N+](=O)c1[nH]c2C(=O)NC(=O)Nc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C5H3N5O4/c11-3-1-2(8-5(12)9-3)7-4(6-1)10(13)14/h(H3,6,7,8,9,11,12) |
| InChIKey | InChI | 1.03 | LXDVSSPKQAHSGS-UHFFFAOYSA-N |
