8HX
Summary
| Name: | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione |
| Synonyms: | 8-hydroxyxanthine |
| Formula: | C5 H4 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 168.11 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione |
| OpenEye OEToolkits | 1.7.6 | 8-oxidanyl-3,9-dihydropurine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1nc(O)nc1NC(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) |
| InChIKey | InChI | 1.03 | LEHOTFFKMJEONL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1[nH]c2NC(=O)NC(=O)c2n1 |
| SMILES | CACTVS | 3.385 | Oc1[nH]c2NC(=O)NC(=O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c12c([nH]c(n1)O)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c12c([nH]c(n1)O)NC(=O)NC2=O |
