7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-methoxy-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-methoxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-methoxy-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-methoxy-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-methoxy-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-methoxy-1,3-dimethyl-xanthine Formula: C13H18N4O7 MolecularWeight: 342.30462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C13H18N4O7/c1-15-9-6(10(21)16(2)13(15)22)17(12(14-9)23-3)11-8(20)7(19)5(4-18)24-11/h5,7-8,11,18-20H,4H2,1-3H3