EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H22N4O4 |
| Net Charge | 0 |
| Average Mass | 334.376 |
| Monoisotopic Mass | 334.16411 |
| SMILES | COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC |
| InChI | InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20) |
| InChIKey | WSWJIZXMAUYHOE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tetroxoprim (CHEBI:135420) is a dimethoxybenzene (CHEBI:51681) |
| Synonym | Source |
|---|---|
| piritrexin | DrugCentral |
| Manual Xrefs | Databases |
|---|---|
| 2615 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| CAS:53808-87-0 | DrugCentral |