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3-cyclohexyl-1-methyl-1-[5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-urea

HCID 67385335
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(C(=O)NC1CCCCC1)c1cnc2c(ccn2COCC[Si](C)(C)C)n1
InChIKey
VAKKAXJKTNFTRV-UHFFFAOYSA-N
Molecular formula
C20H33N5O2Si
Average molar mass
403.6 g/mol
Monoisotopic mass
403.24035185

Names & identifiers

Preferred name
3-cyclohexyl-1-methyl-1-[5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-urea
IUPAC
3-cyclohexyl-1-methyl-1-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea

Names & synonyms

SCHEMBL2376404VAKKAXJKTNFTRV-UHFFFAOYSA-N3-cyclohexyl-1-methyl-1-[5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-urea

Database identifiers

PubChem CID
67385335

Properties

Computed structural properties

Topological polar surface area
72.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
28
Formal charge
0
Complexity
509

Related reactions

2 records
New reaction record
HRID 94290 reaction equation
HRID 94290As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 905984 reaction equation
HRID 905984As productuspto-grants-2011_09

Compound notes

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