[(2R,3S,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-(6-benzamidopurin-9-yl)thiolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-(6-benzamidopurin-9-yl)thiolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R)-3,4-diacetoxy-5-(acetoxymethyl)-5-(6-benzamidopurin-9-yl)tetrahydrothiophen-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-(6-benzamido-9-purinyl)-2-thiolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)-5-(6-benzamidopurin-9-yl)thiolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R)-3,4-diacetoxy-5-(acetoxymethyl)-5-(6-benzamidopurin-9-yl)tetrahydrothiophen-2-yl]methyl ester Formula: C26H27N5O9S MolecularWeight: 585.58568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(S1)(COC(=O)C)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@H]([C@](S1)(COC(=O)C)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H27N5O9S/c1-14(32)37-10-19-21(39-16(3)34)22(40-17(4)35)26(41-19,11-38-15(2)33)31-13-29-20-23(27-12-28-24(20)31)30-25(36)18-8-6-5-7-9-18/h5-9,12-13,19,21-22H,10-11H2,1-4H3,(H,27,28,30,36)/t19-,21-,22-,26-/m1/s1