[(2S,3R,4S)-4-(6-acetamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S)-4-(6-acetamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate Openeye Name: [(2S,3R,4S)-4-(6-acetamidopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S)-4-(6-acetamido-9-purinyl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2S,3R,4S)-4-(6-acetamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S)-4-(6-acetamidopurin-9-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C14H17N5O5 MolecularWeight: 335.31528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=NC2=C1N=CN2C3COC(C3OC(=O)C)CO

Isomeric SMILES

CC(=O)NC1=NC=NC2=C1N=CN2[C@H]3CO[C@H]([C@@H]3OC(=O)C)CO

InChI

InChI=1S/C14H17N5O5/c1-7(21)18-13-11-14(16-5-15-13)19(6-17-11)9-4-23-10(3-20)12(9)24-8(2)22/h5-6,9-10,12,20H,3-4H2,1-2H3,(H,15,16,18,21)/t9-,10-,12+/m0/s1