4,6(1H,5H)-Pyrimidinedione, 1-((3,4-dimethoxyphenyl)methyl)dihydro-2-thioxo-
Basic information
- CAS
57737-63-0- Standard SMILES
COc1ccc(CN2C(=O)CC(=O)NC2=S)cc1OC- InChIKey
ZAAPWEFCMCHVHQ-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4S
- Average molar mass
- 294.33 g/mol
- Monoisotopic mass
- 294.06742811
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, 1-((3,4-dimethoxyphenyl)methyl)dihydro-2-thioxo-
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
4,6(1H,5H)-Pyrimidinedione, 1-((3,4-dimethoxyphenyl)methyl)dihydro-2-thioxo-57737-63-01-((3,4-Dimethoxyphenyl)methyl)dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedioneDTXSID502064341-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
57737-63-0- PubChem CID
- 3036612
- DTXSID
DTXSID50206434
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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