EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20N6O4 |
| Net Charge | 0 |
| Average Mass | 384.396 |
| Monoisotopic Mass | 384.15460 |
| SMILES | COc1cccc(-n2nnc3c(=O)n(CC(=O)NCC4CCCO4)cnc32)c1 |
| InChI | InChI=1S/C18H20N6O4/c1-27-13-5-2-4-12(8-13)24-17-16(21-22-24)18(26)23(11-20-17)10-15(25)19-9-14-6-3-7-28-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3,(H,19,25) |
| InChIKey | DXOMIXNKOPBQCX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[3-(3-methoxyphenyl)-7-oxo-6-triazolo[4,5-d]pyrimidinyl]-N-(2-oxolanylmethyl)acetamide (CHEBI:107034) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18388 | LINCS |