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CHEBI:40012 - 5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
| Formula | C23H29N6O3 |
| Net Charge | +1 |
| Average Mass | 437.524 |
| Monoisotopic Mass | 437.22957 |
| SMILES | [H]OC(=C([H])[H])c1c([H])nc(OC([H])([H])C([H])([H])C([H])=C([H])[H])c(-c2nc3c(C([H])([H])C([H])([H])[H])[n+](C4([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C4([H])[H])n([H])c3c(=O)n2[H])c1[H] |
| InChI | InChI=1S/C23H28N6O3/c1-5-8-9-32-23-17(10-15(11-24-23)14(4)30)21-25-19-18(6-2)29(16-12-28(7-3)13-16)27-20(19)22(31)26-21/h5,10-11,16H,1,4,6-9,12-13H2,2-3H3,(H2,25,26,30,31)/p+1 |
| InChIKey | XQNNCUVRTZCFFZ-UHFFFAOYSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one (CHEBI:40012) is a azetidines (CHEBI:38777) |
| 5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one (CHEBI:40012) is a pyrazolopyrimidine (CHEBI:38669) |
| 5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one (CHEBI:40012) is a pyridines (CHEBI:26421) |
| Synonyms | Source |
|---|---|
| 5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyvinyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-1,2,6,7a-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one | PDBeChem |
| 5-[2-(but-3-en-1-yloxy)-5-(1-hydroxyethenyl)pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-2-ium | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 3P4 | PDBeChem |