EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H21N5O2 |
| Net Charge | 0 |
| Average Mass | 339.399 |
| Monoisotopic Mass | 339.16952 |
| SMILES | [H]Oc1c([H])c([H])c(N([H])c2nc(OC([H])([H])C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c3nc([H])n([H])c3n2)c([H])c1[H] |
| InChI | InChI=1S/C18H21N5O2/c24-14-8-6-13(7-9-14)21-18-22-16-15(19-11-20-16)17(23-18)25-10-12-4-2-1-3-5-12/h6-9,11-12,24H,1-5,10H2,(H2,19,20,21,22,23) |
| InChIKey | RFSDQDHHBKYQOD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE (CHEBI:44252) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}phenol | PDBeChem |
| 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| N20 | PDBeChem |