5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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Basic information
- CAS
420832-61-7- Standard SMILES
Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)cc1- InChIKey
SFMYUAKECPGLJX-UHFFFAOYSA-N- Molecular formula
- C20H21N3O2S
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.13544809
Names & identifiers
- Preferred name
- 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- IUPAC
- 5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- 5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- Molecular formula
- C20H21N3O2S
- Molecular weight
- 367.46464
Names & synonyms
5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedioneAKOS0016450735-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dioneAM-879/408393985-{[2,5-DIMETHYL-1-(4-METHYLPHENYL)-1H-PYRROL-3-YL]METHYLIDENE}-1,3-DIMETHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
Database identifiers
- CAS
420832-61-7- PubChem CID
- 1209311
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
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Compound notes
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