EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H29N5O4 |
| Net Charge | 0 |
| Average Mass | 463.538 |
| Monoisotopic Mass | 463.22195 |
| SMILES | COCCN(C(=O)CN1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)nc1=O |
| InChI | InChI=1S/C25H29N5O4/c1-34-14-13-29(21(31)17-28-12-11-19-9-5-6-10-20(19)16-28)22-23(26)30(25(33)27-24(22)32)15-18-7-3-2-4-8-18/h2-10H,11-17,26H2,1H3,(H,27,32,33) |
| InChIKey | NHZMLDURHLMAFJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)acetamide (CHEBI:121620) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33063 | LINCS |