1,3-dihexyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purine-2,6-dione

Systemtic Name: 1,3-dihexyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purine-2,6-dione Openeye Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3-dihexyl-purine-2,6-dione CAS Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,3-dihexylpurine-2,6-dione IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dihexylpurine-2,6-dione Traditional Name: 7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1,3-dihexyl-xanthine Formula: C22H36N4O6 MolecularWeight: 452.54444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=O)N(C1=O)CCCCCC)N(C=N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCCCCN1C2=C(C(=O)N(C1=O)CCCCCC)N(C=N2)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C22H36N4O6/c1-3-5-7-9-11-24-19-16(20(30)25(22(24)31)12-10-8-6-4-2)26(14-23-19)21-18(29)17(28)15(13-27)32-21/h14-15,17-18,21,27-29H,3-13H2,1-2H3