8-(2,2-dimethylpropanoyl)-3,7-dimethyl-1-(10-oxidanylundecyl)purine-2,6-dione

Systemtic Name: 8-(2,2-dimethylpropanoyl)-3,7-dimethyl-1-(10-oxidanylundecyl)purine-2,6-dione Openeye Name: 8-(2,2-dimethylpropanoyl)-1-(10-hydroxyundecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2,2-dimethyl-1-oxopropyl)-1-(10-hydroxyundecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(2,2-dimethylpropanoyl)-1-(10-hydroxyundecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(10-hydroxyundecyl)-3,7-dimethyl-8-pivaloyl-xanthine Formula: C23H38N4O4 MolecularWeight: 434.57222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCN1C(=O)C2=C(N=C(N2C)C(=O)C(C)(C)C)N(C1=O)C)O

Isomeric SMILES

CC(CCCCCCCCCN1C(=O)C2=C(N=C(N2C)C(=O)C(C)(C)C)N(C1=O)C)O

InChI

InChI=1S/C23H38N4O4/c1-16(28)14-12-10-8-7-9-11-13-15-27-21(30)17-19(26(6)22(27)31)24-20(25(17)5)18(29)23(2,3)4/h16,28H,7-15H2,1-6H3