EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H23N7O2 |
| Net Charge | 0 |
| Average Mass | 369.429 |
| Monoisotopic Mass | 369.19132 |
| SMILES | Cc1ccc([N+](=O)[O-])cc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1 |
| InChI | InChI=1S/C18H23N7O2/c1-13-6-7-14(25(26)27)12-15(13)19-16-20-17(23-8-2-3-9-23)22-18(21-16)24-10-4-5-11-24/h6-7,12H,2-5,8-11H2,1H3,(H,19,20,21,22) |
| InChIKey | OCWNPSSCQWGLKS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2-methyl-5-nitrophenyl)-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amine (CHEBI:105781) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17143 | LINCS |