9-[2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-imidazol-1-ylpurin-6-amine

HCID 68089271
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Basic information

Standard SMILES
Cc1cccc(C)c1C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(-n3ccnc3)nc21
InChIKey
NWUCBGDFEQGJTP-UHFFFAOYSA-N
Molecular formula
C26H26N7OP
Average molar mass
483.5 g/mol

Names & identifiers

Preferred name
9-[2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-imidazol-1-ylpurin-6-amine
IUPAC
9-[2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-imidazol-1-ylpurin-6-amine

Names & synonyms

SCHEMBL10277325PD082621

Database identifiers

PubChem CID
68089271

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
90.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
35

Related reactions

1 records
New reaction record

Compound notes

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9-[2-(2,6-dimethylphenyl)ethenyl]-N-(4-dimethylphosphorylphenyl)-2-imidazol-1-ylpurin-6-amine (HCID 68089271)｜Huagongshe