1,3-dimethyl-7-(2-methyl-3-oxidanyl-butyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methyl-3-oxidanyl-butyl)purine-2,6-dione Openeye Name: 7-(3-hydroxy-2-methyl-butyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(3-hydroxy-2-methylbutyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-hydroxy-2-methylbutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-hydroxy-2-methyl-butyl)-1,3-dimethyl-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)C(C)O

Isomeric SMILES

CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)C(C)O

InChI

InChI=1S/C12H18N4O3/c1-7(8(2)17)5-16-6-13-10-9(16)11(18)15(4)12(19)14(10)3/h6-8,17H,5H2,1-4H3