EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H23N3O4 |
| Net Charge | 0 |
| Average Mass | 405.454 |
| Monoisotopic Mass | 405.16886 |
| SMILES | COc1ccc(-c2oc3ncnc(NCCCO)c3c2-c2ccc(OC)cc2)cc1 |
| InChI | InChI=1S/C23H23N3O4/c1-28-17-8-4-15(5-9-17)19-20-22(24-12-3-13-27)25-14-26-23(20)30-21(19)16-6-10-18(29-2)11-7-16/h4-11,14,27H,3,12-13H2,1-2H3,(H,24,25,26) |
| InChIKey | NPOZFKXPQMRTAM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[[5,6-bis(4-methoxyphenyl)-4-furo[2,3-d]pyrimidinyl]amino]-1-propanol (CHEBI:109732) is a furans (CHEBI:24129) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21160 | LINCS |