EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H21N5O3 |
| Net Charge | 0 |
| Average Mass | 403.442 |
| Monoisotopic Mass | 403.16444 |
| SMILES | [H]c1nc(N2C([H])([H])C([H])([H])[C@@]([H])(Oc3nc4c([H])c([H])c([H])c([H])c4nc3[H])C2([H])[H])c2c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c2n1 |
| InChI | InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1 |
| InChIKey | UBIIFKJMNRPNMT-CQSZACIVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6,7-dimethoxy-4-[(3R)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline (CHEBI:44804) is a pyrrolidinoquinazoline (CHEBI:46778) |
| 6,7-dimethoxy-4-[(3R)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline (CHEBI:44804) is a quinoxaline derivative (CHEBI:38771) |
| Synonyms | Source |
|---|---|
| 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE | PDBeChem |
| 6,7-dimethoxy-4-[(3R)-3-(quinoxalin-2-yloxy)pyrrolidin-1-yl]quinazoline | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| PFJ | PDBeChem |