1,3-dimethyl-7-[2-methyl-2,3-bis(oxidanyl)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-methyl-2,3-bis(oxidanyl)propyl]purine-2,6-dione Openeye Name: 7-(2,3-dihydroxy-2-methyl-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2,3-dihydroxy-2-methylpropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2,3-dihydroxy-2-methyl-propyl)-1,3-dimethyl-xanthine Formula: C11H16N4O4 MolecularWeight: 268.26914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O4/c1-11(19,5-16)4-15-6-12-8-7(15)9(17)14(3)10(18)13(8)2/h6,16,19H,4-5H2,1-3H3