4'-(2-(4-Cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxamide

HCID 57747315
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Basic information

Standard SMILES
Cc1cc(-c2ccc(C(N)=O)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1ncn2C
InChIKey
BKXXQJKNMQLAAT-UHFFFAOYSA-N
Molecular formula
C28H23N7O2
Average molar mass
489.5 g/mol

Names & identifiers

Preferred name
4'-(2-(4-Cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxamide
IUPAC
4-[4-[2-(4-cyanoanilino)-9-methylpurin-6-yl]oxy-3,5-dimethylphenyl]benzamide

Names & synonyms

4'-(2-(4-Cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxamideSCHEMBL4113576BKXXQJKNMQLAAT-UHFFFAOYSA-N4-[4-[2-(4-cyanoanilino)-9-methyl-purin-6-yl]oxy-3,5-dimethyl-phenyl]benzamide

Database identifiers

PubChem CID
57747315

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
132 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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