EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H7ClN4O2 |
| Net Charge | 0 |
| Average Mass | 214.612 |
| Monoisotopic Mass | 214.02575 |
| SMILES | [H]n1c(Cl)nc2c1c(=O)n(C([H])([H])[H])c(=O)n2C([H])([H])[H] |
| InChI | InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) |
| InChIKey | RYIGNEOBDRVTHA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE (CHEBI:47456) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione | PDBeChem |
| 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| H33 | PDBeChem |