4-{4-[(4-Chlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
Basic information
- CAS
355826-94-7- Standard SMILES
COc1cc(-c2nc(SC)n(C)c(=O)c2C#N)cc(I)c1OCc1ccc(Cl)cc1- InChIKey
DWIZDCZIGZZFAV-UHFFFAOYSA-N- Molecular formula
- C21H17ClIN3O3S
- Average molar mass
- 553.8 g/mol
Names & identifiers
- Preferred name
- 4-{4-[(4-Chlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
- IUPAC
- 4-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carbonitrile
- English name
- 4-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
- Molecular formula
- C21H17ClIN3O3S
- Molecular weight
- 553.80045
Names & synonyms
355826-94-74-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile4-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrileSTK380486AKOS0032487824-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carbonitrileST50905536AN-648/150980066-{4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl}-3-methyl-2-methylthio-4 -oxo-3-hydropyrimidine-5-carbonitrile
Database identifiers
- CAS
355826-94-7
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 760
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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