Basic information
- CAS
381716-43-4- Standard SMILES
CCOc1ccccc1-n1c(O)c(C=Nc2ccc(N(CC)CC)cc2)c(=O)[nH]c1=O- InChIKey
GPBOYJNZWRYUNN-UHFFFAOYSA-N- Molecular formula
- C23H26N4O4
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.19540532
Names & identifiers
- Preferred name
- (5E)-5-[[4-(diethylamino)anilino]methylidene]-1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[[4-(diethylamino)phenyl]iminomethyl]-1-(2-ethoxyphenyl)-6-hydroxypyrimidine-2,4-dione
Names & synonyms
MLS000037353SMR000040913(5E)-5-[[4-(diethylamino)anilino]methylidene]-1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trioneMLS002581890CHEMBL1497731BDBM52103cid_5389204DTXSID401116626STL038565AKOS005692185AKOS030513763NCGC00020428-01
Show more names
NCGC00020428-02381716-43-4(5E)-5-[[4-(diethylamino)anilino]methylene]-1-o-phenetyl-barbituric acid5-{[4-(Diethylamino)anilino]methylidene}-1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione(5E)-5-[[[4-(diethylamino)phenyl]amino]methylidene]-1-(2-ethoxyphenyl)-1,3-diazinane-2,4,6-trione(5Z)-5-({[4-(diethylamino)phenyl]amino}methylidene)-3-(2-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione(E)-5-(((4-(diethylamino)phenyl)amino)methylene)-1-(2-ethoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione5-[[[4-(Diethylamino)phenyl]amino]methylene]-1-(2-ethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
381716-43-4- PubChem CID
- 3969022
- DTXSID
DTXSID401116626- ChEMBL
CHEMBL1497731
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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