Basic information
- Standard SMILES
COc1ccc(CNc2nc(SC)nc(Cl)c2C(=O)OCCOCc2ccccc2)cc1Cl- InChIKey
SHLRMGKSUGZTBA-UHFFFAOYSA-N- Molecular formula
- C23H23Cl2N3O4S
- Average molar mass
- 508.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-Chloro-4-methoxybenzylamino)-5-(2-benzyloxyethoxycarbonyl)-6-chloro-2-methylthiopyrimidine
- IUPAC
- 2-phenylmethoxyethyl 4-chloro-6-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate
Names & synonyms
SCHEMBL4977700SHLRMGKSUGZTBA-UHFFFAOYSA-N4-(3-chloro-4-methoxybenzylamino)-5-(2-benzyloxyethoxycarbonyl)-6-chloro-2-methylthiopyrimidine
Database identifiers
- PubChem CID
- 17848357
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 588
Related reactions
3 records
Compound notes
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