1-(2,2-dimethylpropanoyl)-3,7-dimethyl-8-(9-oxidanylnonyl)purine-2,6-dione

Systemtic Name: 1-(2,2-dimethylpropanoyl)-3,7-dimethyl-8-(9-oxidanylnonyl)purine-2,6-dione Openeye Name: 1-(2,2-dimethylpropanoyl)-8-(9-hydroxynonyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-8-(9-hydroxynonyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(2,2-dimethylpropanoyl)-8-(9-hydroxynonyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(9-hydroxynonyl)-3,7-dimethyl-1-pivaloyl-xanthine Formula: C21H34N4O4 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(=O)C2=C(N=C(N2C)CCCCCCCCCO)N(C1=O)C

Isomeric SMILES

CC(C)(C)C(=O)N1C(=O)C2=C(N=C(N2C)CCCCCCCCCO)N(C1=O)C

InChI

InChI=1S/C21H34N4O4/c1-21(2,3)19(28)25-18(27)16-17(24(5)20(25)29)22-15(23(16)4)13-11-9-7-6-8-10-12-14-26/h26H,6-14H2,1-5H3