[(2R,3R,4R,5R)-3-acetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-(4-methylphenyl)sulfonyloxy-oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-3-acetyloxy-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-(4-methylphenyl)sulfonyloxy-oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-3-acetoxy-5-(2-amino-6-oxo-3H-purin-9-yl)-4-(p-tolylsulfonyloxy)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-3-acetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)-4-(4-methylphenyl)sulfonyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3-acetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)-4-(4-methylphenyl)sulfonyloxyoxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-3-acetoxy-5-(2-amino-6-keto-3H-purin-9-yl)-4-tosyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H23N5O9S MolecularWeight: 521.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC2N3C=NC4=C3NC(=NC4=O)N)COC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C3NC(=NC4=O)N)COC(=O)C)OC(=O)C

InChI

InChI=1S/C21H23N5O9S/c1-10-4-6-13(7-5-10)36(30,31)35-17-16(33-12(3)28)14(8-32-11(2)27)34-20(17)26-9-23-15-18(26)24-21(22)25-19(15)29/h4-7,9,14,16-17,20H,8H2,1-3H3,(H3,22,24,25,29)/t14-,16-,17-,20-/m1/s1