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

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-2,6-dione dihydrate Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-2,6-dione dihydrate CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-2,6-dione dihydrate IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione dihydrate Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)xanthine dihydrate Formula: C10H16N4O8 MolecularWeight: 320.25604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O.O

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O.O

InChI

InChI=1S/C10H12N4O6.2H2O/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18;;/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19);2*1H2