1,3-dimethyl-7-(4-oxidanylbutyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(4-oxidanylbutyl)purine-2,6-dione Openeye Name: 7-(4-hydroxybutyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(4-hydroxybutyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(4-hydroxybutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-hydroxybutyl)-1,3-dimethyl-xanthine Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCO

InChI

InChI=1S/C11H16N4O3/c1-13-9-8(10(17)14(2)11(13)18)15(7-12-9)5-3-4-6-16/h7,16H,3-6H2,1-2H3