9-[(2R,4S,5S)-4-ethanoyl-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[(2R,4S,5S)-4-ethanoyl-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2R,4S,5S)-4-acetyl-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[(2R,4S,5S)-4-acetyl-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[(2R,4S,5S)-4-acetyl-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2R,4S,5S)-4-acetyl-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C12H14N4O4 MolecularWeight: 278.26396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(OC1CO)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CC(=O)[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C12H14N4O4/c1-6(18)7-2-9(20-8(7)3-17)16-5-15-10-11(16)13-4-14-12(10)19/h4-5,7-9,17H,2-3H2,1H3,(H,13,14,19)/t7-,8-,9-/m1/s1