3-(2-tert-butyl-6-oxidanylidene-3H-purin-9-yl)nonan-2-yl 2,2-dimethylpropanoate

Systemtic Name: 3-(2-tert-butyl-6-oxidanylidene-3H-purin-9-yl)nonan-2-yl 2,2-dimethylpropanoate Openeye Name: [2-(2-tert-butyl-6-oxo-3H-purin-9-yl)-1-methyl-octyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 3-(2-tert-butyl-6-oxo-3H-purin-9-yl)nonan-2-yl ester IUPAC Name: 3-(2-tert-butyl-6-oxo-3H-purin-9-yl)nonan-2-yl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(2-tert-butyl-6-keto-3H-purin-9-yl)-1-methyl-octyl] ester Formula: C23H38N4O3 MolecularWeight: 418.57282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)OC(=O)C(C)(C)C)N1C=NC2=C1NC(=NC2=O)C(C)(C)C

Isomeric SMILES

CCCCCCC(C(C)OC(=O)C(C)(C)C)N1C=NC2=C1NC(=NC2=O)C(C)(C)C

InChI

InChI=1S/C23H38N4O3/c1-9-10-11-12-13-16(15(2)30-21(29)23(6,7)8)27-14-24-17-18(27)25-20(22(3,4)5)26-19(17)28/h14-16H,9-13H2,1-8H3,(H,25,26,28)