Basic information
- Standard SMILES
CCN(CC)CCNc1cccc(Nc2ncc(C)c(-c3sc(SC)c(C#N)c3C3CCCCC3)n2)c1- InChIKey
WHZNSLZSSKIANA-UHFFFAOYSA-N- Molecular formula
- C29H38N6S2
- Average molar mass
- 534.8 g/mol
Names & identifiers
- Preferred name
- 4-Cyclohexyl-5-{2-[3-(2-diethylamino-ethylamino)phenylamino]-5-methyl-pyrimidin-4-yl}2-methylsulfanylthiophene-3-carbonitrile
- IUPAC
- 4-cyclohexyl-5-[2-[3-[2-(diethylamino)ethylamino]anilino]-5-methylpyrimidin-4-yl]-2-methylsulfanylthiophene-3-carbonitrile
Names & synonyms
4-cyclohexyl-5-{2-(3-(2-diethylamino-ethylamino)-phenylamino)-5-methyl-pyrimidin-4-yl}2-methylsulfanyl-thiophene-3-carbonitrile4-Cyclohexyl-5-{2-[3-(2-diethylamino-ethylamino)-phenylamino]-5-methyl-pyrimidin-4-yl}2-methylsulfanyl-thiophene-3-carbonitrileSCHEMBL5755193WHZNSLZSSKIANA-UHFFFAOYSA-N4-Cyclohexyl-5-{2-[3-(2-diethylamino-ethylamino)phenylamino]-5-methyl-pyrimidin-4-yl}2-methylsulfanylthiophene-3-carbonitrile
Database identifiers
- PubChem CID
- 22019044
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 720
Related reactions
2 records
Compound notes
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