[2-(6-benzamidopurin-1-yl)-5,5-bis(methylsulfonyloxymethyl)-4-phenylmethoxy-oxolan-3-yl] ethanoate

Systemtic Name: [2-(6-benzamidopurin-1-yl)-5,5-bis(methylsulfonyloxymethyl)-4-phenylmethoxy-oxolan-3-yl] ethanoate Openeye Name: [2-(6-benzamidopurin-1-yl)-4-benzyloxy-5,5-bis(methylsulfonyloxymethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [2-(6-benzamido-1-purinyl)-5,5-bis(methylsulfonyloxymethyl)-4-phenylmethoxy-3-oxolanyl] ester IUPAC Name: [2-(6-benzamidopurin-1-yl)-5,5-bis(methylsulfonyloxymethyl)-4-phenylmethoxyoxolan-3-yl] acetate Traditional Name: acetic acid [2-(6-benzamidopurin-1-yl)-4-benzoxy-5,5-bis(methylsulfonyloxymethyl)tetrahydrofuran-3-yl] ester Formula: C29H31N5O11S2 MolecularWeight: 689.71334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1N2C=NC3=NC=NC3=C2NC(=O)C4=CC=CC=C4)(COS(=O)(=O)C)COS(=O)(=O)C)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1C(C(OC1N2C=NC3=NC=NC3=C2NC(=O)C4=CC=CC=C4)(COS(=O)(=O)C)COS(=O)(=O)C)OCC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O11S2/c1-19(35)44-23-24(41-14-20-10-6-4-7-11-20)29(15-42-46(2,37)38,16-43-47(3,39)40)45-28(23)34-18-32-25-22(30-17-31-25)26(34)33-27(36)21-12-8-5-9-13-21/h4-13,17-18,23-24,28H,14-16H2,1-3H3,(H,33,36)