EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H21N5O |
| Net Charge | 0 |
| Average Mass | 371.444 |
| Monoisotopic Mass | 371.17461 |
| SMILES | CCC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21 |
| InChI | InChI=1S/C22H21N5O/c1-3-22(2)13-16-11-7-8-12-17(16)19-18(22)20(28)26(21-23-24-25-27(19)21)14-15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3 |
| InChIKey | IYSGUMXLGINQIO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-19894 (CHEBI:108519) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19894 | LINCS |