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Yorodumi- ChemComp-3P4: 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-3-YL]-3-ETHYL-2... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3P4 |
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Name | Name: Synonyms: 5-(5-ACETYL-2-BUTOXY-3-PYRIDINYL)-3-ETHYL-2-(1-ETHYL-3-AZETIDINYL)-2,6-DIHYDRO-7H-PYRAZOLO (4,3-D) PYRIMIDIN-7-ONE |
-Chemical information
Composition | Formula: C23H29N6O3 / Number of atoms: 61 / Formula weight: 437.515 / Formal charge: 1 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3P4 / Model coordinates PDB-ID: 2CHM | ||||||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-2chm:
Crystal structure of N2 substituted pyrazolo pyrimidinones - a flipped binding mode in PDE5