9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-2,6-dione; 7H-purine

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-2,6-dione; 7H-purine Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione; 7H-purine CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-2,6-dione; 7H-purine IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione; 7H-purine Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)xanthine; 7H-purine Formula: C15H16N8O6 MolecularWeight: 404.33754

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)N=CN2.C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O

Isomeric SMILES

C1=C2C(=NC=N1)N=CN2.C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O

InChI

InChI=1S/C10H12N4O6.C5H4N4/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18;1-4-5(8-2-6-1)9-3-7-4/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19);1-3H,(H,6,7,8,9)