8-(2,2-dimethyl-1-oxidanyl-propyl)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(2,2-dimethyl-1-oxidanyl-propyl)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(1-hydroxy-2,2-dimethyl-propyl)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(1-hydroxy-2,2-dimethylpropyl)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(1-hydroxy-2,2-dimethylpropyl)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(1-hydroxy-2,2-dimethyl-propyl)-1,3,7-trimethyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(C)(C)C(C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C13H20N4O3/c1-13(2,3)8(18)10-14-9-7(15(10)4)11(19)17(6)12(20)16(9)5/h8,18H,1-6H3