Basic information
- Standard SMILES
Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC2=CC(CO)C(CO)C2)c1- InChIKey
ZJITZDCSRPKBPD-UHFFFAOYSA-N- Molecular formula
- C23H30N2O4S
- Average molar mass
- 430.6 g/mol
Names & identifiers
- Preferred name
- 1-{[3,4-Di(hydroxymethyl)cyclopent-1-en-1-yl]methyl}-5-isopropyl-6-(3,5-dimethylphenylthio)-2,4-pyrimidinedione
- IUPAC
- 1-[[3,4-bis(hydroxymethyl)cyclopenten-1-yl]methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Names & synonyms
SCHEMBL7070098ZJITZDCSRPKBPD-UHFFFAOYSA-N1-{[3,4-Di(hydroxymethyl)cyclopent-1-en-1-yl]methyl}-5-isopropyl-6-(3,5-dimethylphenylthio)-2,4-pyrimidinedione
Database identifiers
- PubChem CID
- 69977595
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 723
Related reactions
1 records
Compound notes
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