1,3-dimethyl-5-[4-(pyrrolidin-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Basic information
- CAS
432503-04-3- Standard SMILES
CN1C(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(C)C1=S- InChIKey
FOGDRJYYPHWAHK-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2S
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.11979803
Names & identifiers
- Preferred name
- 1,3-dimethyl-5-[4-(pyrrolidin-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
- IUPAC
- 1,3-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
1,3-dimethyl-5-[4-(pyrrolidin-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione1,3-DIMETHYL-5-{[4-(PYRROLIDIN-1-YL)PHENYL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONEDTXSID001116698STK187229AKOS000330180432503-04-3SR-01000059416SR-01000059416-1Z57038401Dihydro-1,3-dimethyl-5-[[4-(1-pyrrolidinyl)phenyl]methylene]-2-thioxo-4,6(1H,5H)-pyrimidinedione
Database identifiers
- CAS
432503-04-3- PubChem CID
- 963249
- DTXSID
DTXSID001116698
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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