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

Systemtic Name: 2-fluoranyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one; propan-2-one Openeye Name: acetone; 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-fluoro-3H-purin-6-one CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-fluoro-3H-purin-6-one; 2-propanone IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3H-purin-6-one; propan-2-one Traditional Name: acetone; 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-2-fluoro-3H-purin-6-one Formula: C13H17FN4O6 MolecularWeight: 344.295683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11FN4O5.C3H6O/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9;1-3(2)4/h2-3,5-6,9,16-18H,1H2,(H,13,14,19);1-2H3