2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]-N-(7H-purin-6-yl)butanamide

Systemtic Name: 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]-N-(7H-purin-6-yl)butanamide Openeye Name: 2-[2-(1,1-dimethylpropyl)-4-methyl-phenoxy]-N-(7H-purin-6-yl)butanamide CAS Name: 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]-N-(7H-purin-6-yl)butanamide IUPAC Name: 2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]-N-(7H-purin-6-yl)butanamide Traditional Name: 2-(2-tert-amyl-4-methyl-phenoxy)-N-(7H-purin-6-yl)butyramide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=NC2=C1NC=N2)OC3=C(C=C(C=C3)C)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=NC=NC2=C1NC=N2)OC3=C(C=C(C=C3)C)C(C)(C)CC

InChI

InChI=1S/C21H27N5O2/c1-6-15(20(27)26-19-17-18(23-11-22-17)24-12-25-19)28-16-9-8-13(3)10-14(16)21(4,5)7-2/h8-12,15H,6-7H2,1-5H3,(H2,22,23,24,25,26,27)