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

Systemtic Name: 9-[5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]-2-(2-oxidanylidenepropyl)-3H-purin-6-one Openeye Name: 2-acetonyl-9-[3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(2-oxopropyl)-3H-purin-6-one IUPAC Name: 9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2-oxopropyl)-3H-purin-6-one Traditional Name: 2-acetonyl-9-(3-hydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O5/c1-6(19)2-9-15-11-10(12(21)16-9)14-5-17(11)13-8(20)3-7(4-18)22-13/h5,7-8,13,18,20H,2-4H2,1H3,(H,15,16,21)