[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[(E)-2-(4-methylphenyl)sulfonylethenyl]oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[(E)-2-(4-methylphenyl)sulfonylethenyl]oxolan-3-yl] ethanoate Openeye Name: [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[(E)-2-(p-tolylsulfonyl)vinyl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[(E)-2-(4-methylphenyl)sulfonylethenyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[(E)-2-(4-methylphenyl)sulfonylethenyl]oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,5S)-2-adenin-9-yl-5-[(E)-2-tosylvinyl]tetrahydrofuran-3-yl] ester Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=CC2CC(C(O2)N3C=NC4=C3N=CN=C4N)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C/[C@@H]2C[C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)OC(=O)C

InChI

InChI=1S/C20H21N5O5S/c1-12-3-5-15(6-4-12)31(27,28)8-7-14-9-16(29-13(2)26)20(30-14)25-11-24-17-18(21)22-10-23-19(17)25/h3-8,10-11,14,16,20H,9H2,1-2H3,(H2,21,22,23)/b8-7+/t14-,16-,20-/m1/s1