Basic information
- Standard SMILES
CS(=O)(=O)c1nc(NCc2ccccc2)c([N+](=O)[O-])c(Oc2cc(C#N)ccc2OCc2ccccc2)n1- InChIKey
MVAKZEPWTDKRCK-UHFFFAOYSA-N- Molecular formula
- C26H21N5O6S
- Average molar mass
- 531.5 g/mol
Names & identifiers
- Preferred name
- 2-Methylsulfonyl-4-benzylamino-5-nitro-6-(2-benzyloxy-5-cyanophenoxy)pyrimidine
- IUPAC
- 3-[6-(benzylamino)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxy-4-phenylmethoxybenzonitrile
Names & synonyms
SCHEMBL6949713MVAKZEPWTDKRCK-UHFFFAOYSA-N2-methylsulfonyl-4-benzylamino-5-nitro-6-(2-benzyloxy-5-cyanophenoxy)pyrimidine
Database identifiers
- PubChem CID
- 18917017
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 919
Related reactions
1 records
Compound notes
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