EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H13N5O4 |
| Net Charge | 0 |
| Average Mass | 351.322 |
| Monoisotopic Mass | 351.09675 |
| SMILES | Cn1c2c(c(=O)n(C)c1=O)C1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 |
| InChI | InChI=1S/C17H13N5O4/c1-21-13(23)11-14(22(2)16(21)25)26-12(19)9(7-18)17(11)8-5-3-4-6-10(8)20-15(17)24/h3-6H,19H2,1-2H3,(H,20,24) |
| InChIKey | NWAXQIGOONAAQX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7'-amino-1',3'-dimethyl-2,2',4'-trioxo-6'-spiro[1H-indole-3,5'-pyrano[2,3-d]pyrimidine]carbonitrile (CHEBI:116184) is a organic heterobicyclic compound (CHEBI:27171) |
| 7'-amino-1',3'-dimethyl-2,2',4'-trioxo-6'-spiro[1H-indole-3,5'-pyrano[2,3-d]pyrimidine]carbonitrile (CHEBI:116184) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| 7'-amino-1',3'-dimethyl-2,2',4'-trioxo-6'-spiro[1H-indole-3,5'-pyrano[2,3-d]pyrimidine]carbonitrile (CHEBI:116184) is a oxacycle (CHEBI:38104) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27640 | LINCS |