[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-methoxyethanoate

Systemtic Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-methoxyethanoate Openeye Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)OC1CC(OC1CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

COCC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O6/c1-29-9-16(27)31-13-7-15(30-14(13)8-26)25-11-23-17-18(21-10-22-19(17)25)24-20(28)12-5-3-2-4-6-12/h2-6,10-11,13-15,26H,7-9H2,1H3,(H,21,22,24,28)/t13-,14+,15+/m0/s1