Methyl 4'-(2-(4-cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylate

HCID 57747379
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Basic information

Standard SMILES
COC(=O)c1ccc(-c2cc(C)c(Oc3nc(Nc4ccc(C#N)cc4)nc4c3ncn4C)c(C)c2)cc1
InChIKey
OMPXBERBEUTYJO-UHFFFAOYSA-N
Molecular formula
C29H24N6O3
Average molar mass
504.5 g/mol

Names & identifiers

Preferred name
Methyl 4'-(2-(4-cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylate
IUPAC
methyl 4-[4-[2-(4-cyanoanilino)-9-methylpurin-6-yl]oxy-3,5-dimethylphenyl]benzoate

Names & synonyms

SCHEMBL3838917OMPXBERBEUTYJO-UHFFFAOYSA-NMethyl 4'-(2-(4-cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylate

Database identifiers

PubChem CID
57747379

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
38

Related reactions

6 records
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Compound notes

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