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Basic information
- Standard SMILES
Cc1cc(Br)cc(C)c1Sc1nc(Nc2ccc(C#N)cc2)nc(/C=C/N(C)C)c1[N+](=O)[O-]- InChIKey
SRROFMCOQCPRKB-MDZDMXLPSA-N- Molecular formula
- C23H21BrN6O2S
- Average molar mass
- 525.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-(4-bromo-2,6-dimethylphenylthio)-6-((E)-2-(dimethylamino)vinyl)-5-nitropyrimidin-2-ylamino)benzonitrile
- IUPAC
- 4-[[4-(4-bromo-2,6-dimethylphenyl)sulfanyl-6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyrimidin-2-yl]amino]benzonitrile
Names & synonyms
SCHEMBL3838720SRROFMCOQCPRKB-MDZDMXLPSA-N4-(4-(4-bromo-2,6-dimethylphenylthio)-6-((E)-2-(dimethylamino)vinyl)-5-nitropyrimidin-2-ylamino)benzonitrile
Database identifiers
- PubChem CID
- 57747384
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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