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6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile (HCID 135546492)|Huagongshe
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Compound
6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile
HCID
135546492
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
N#Cc1c(N2CCc3ccccc3CC2)nc[nH]c1=O
InChIKey
VXBNIUWMGBUTRT-UHFFFAOYSA-N
Molecular formula
C15H14N4O
Average molar mass
266.3 g/mol
Names & identifiers
Preferred name
6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile
IUPAC
6-oxo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL6950186
Database identifiers
PubChem CID
135546492
Properties
Computed structural properties
XLogP
1.5
Topological polar surface area
68.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Formal charge
0
Complexity
497
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Related reactions
5 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
107311
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
155299
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
665090
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1204679
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1562272
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes
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