[(2R,3R,4R)-4-acetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4R)-4-acetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate Openeye Name: [(2R,3R,4R)-4-acetoxy-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4R)-4-acetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R)-4-acetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4R)-4-acetoxy-5-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C14H17N5O7 MolecularWeight: 367.31408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2NC(=NC3=O)N)CO

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O7/c1-5(21)24-9-7(3-20)26-13(10(9)25-6(2)22)19-4-16-8-11(19)17-14(15)18-12(8)23/h4,7,9-10,13,20H,3H2,1-2H3,(H3,15,17,18,23)/t7-,9-,10-,13?/m1/s1