EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H21N5O2 |
| Net Charge | 0 |
| Average Mass | 387.443 |
| Monoisotopic Mass | 387.16952 |
| SMILES | CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC2c1ccccn1 |
| InChI | InChI=1S/C22H21N5O2/c1-22(2)11-15-18(16(28)12-22)19(14-8-5-6-10-23-14)26-20(24-15)27-21-25-13-7-3-4-9-17(13)29-21/h3-10,19H,11-12H2,1-2H3,(H2,24,25,26,27) |
| InChIKey | GDVZNNUXEGUATE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-pyridinyl)-1,4,6,8-tetrahydroquinazolin-5-one (CHEBI:116240) is a quinazolines (CHEBI:38530) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27695 | LINCS |