EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17N5O |
| Net Charge | 0 |
| Average Mass | 319.368 |
| Monoisotopic Mass | 319.14331 |
| SMILES | COc1ccc(C2=CC(c3ccc(C)cc3)N3NN=NC3=N2)cc1 |
| InChI | InChI=1S/C18H17N5O/c1-12-3-5-14(6-4-12)17-11-16(19-18-20-21-22-23(17)18)13-7-9-15(24-2)10-8-13/h3-11,17H,1-2H3,(H,19,20,22) |
| InChIKey | FJQYKMPHCPKIQF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(4-methoxyphenyl)-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine (CHEBI:117083) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28530 | LINCS |