2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 3,7-dihydropurine-2,6-dione

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 3,7-dihydropurine-2,6-dione Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 3,7-dihydropurine-2,6-dione CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 3,7-dihydropurine-2,6-dione IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 3,7-dihydropurine-2,6-dione Traditional Name: 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; xanthine Formula: C15H17N9O6 MolecularWeight: 419.35218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)NC(=O)N2.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=NC2=C(N1)C(=O)NC(=O)N2.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C10H13N5O4.C5H4N4O2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;10-4-2-3(7-1-6-2)8-5(11)9-4/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1H,(H3,6,7,8,9,10,11)