9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-(2-oxidanylidenepropyl)-3H-purin-6-one

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-(2-oxidanylidenepropyl)-3H-purin-6-one Openeye Name: 2-acetonyl-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(2-oxopropyl)-3H-purin-6-one IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2-oxopropyl)-3H-purin-6-one Traditional Name: 2-acetonyl-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C13H16N4O6 MolecularWeight: 324.28934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O

Isomeric SMILES

CC(=O)CC1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C13H16N4O6/c1-5(19)2-7-15-11-8(12(22)16-7)14-4-17(11)13-10(21)9(20)6(3-18)23-13/h4,6,9-10,13,18,20-21H,2-3H2,1H3,(H,15,16,22)