EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20N6O3 |
| Net Charge | 0 |
| Average Mass | 368.397 |
| Monoisotopic Mass | 368.15969 |
| SMILES | O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)NCC1CCCO1 |
| InChI | InChI=1S/C18H20N6O3/c25-15(19-9-14-7-4-8-27-14)11-23-12-20-17-16(18(23)26)21-22-24(17)10-13-5-2-1-3-6-13/h1-3,5-6,12,14H,4,7-11H2,(H,19,25) |
| InChIKey | PJEVFPIJDMZCKQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2-oxolanylmethyl)-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamide (CHEBI:107264) is a triazolopyrimidines (CHEBI:48435) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18618 | LINCS |