Basic information
- Standard SMILES
CCc1c(Sc2cc(C)cc(C)c2)n(CC2=CCC(CO)C2)c(=O)[nH]c1=O- InChIKey
VOUAZPOYEFSAAL-UHFFFAOYSA-N- Molecular formula
- C21H26N2O3S
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- 6-(3,5-Dimethylphenyl)sulfanyl-5-ethyl-1-[[4-(hydroxymethyl)cyclopenten-1-yl]methyl]pyrimidine-2,4-dione
- IUPAC
- 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-[[4-(hydroxymethyl)cyclopenten-1-yl]methyl]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL7071340VOUAZPOYEFSAAL-UHFFFAOYSA-N6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-[[4-(hydroxymethyl)cyclopenten-1-yl]methyl]pyrimidine-2,4-dione1-[(4-Hydroxymethylcyclopent-1-en-1-yl)methyl]-5-ethyl-6(3,5-dimethylphenylthio)-2,4-pyrimidinedione1-[(4-Hydroxymethylcyclopent-1-en-1-yl)methyl]-5-ethyl-6-(3,5-dimethylphenylthio)-2,4-pyrimidinedione
Database identifiers
- PubChem CID
- 474593
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 648
Related reactions
1 records
Compound notes
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