1,3-dimethyl-7-(2-oxidanylbutyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanylbutyl)purine-2,6-dione Openeye Name: 7-(2-hydroxybutyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-hydroxybutyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-hydroxybutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-hydroxybutyl)-1,3-dimethyl-xanthine Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O3/c1-4-7(16)5-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6-7,16H,4-5H2,1-3H3