[(2R,3S,4R,5R)-3-acetyloxy-5-(6-aminopurin-9-yl)-4-methylsulfanyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R)-3-acetyloxy-5-(6-aminopurin-9-yl)-4-methylsulfanyl-oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R)-3-acetoxy-5-(6-aminopurin-9-yl)-4-methylsulfanyl-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R)-3-acetyloxy-5-(6-aminopurin-9-yl)-4-(methylthio)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-3-acetyloxy-5-(6-aminopurin-9-yl)-4-methylsulfanyloxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R)-3-acetoxy-5-adenin-9-yl-4-(methylthio)tetrahydrofuran-2-yl]methyl ester Formula: C15H19N5O5S MolecularWeight: 381.40686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)SC)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)SC)OC(=O)C

InChI

InChI=1S/C15H19N5O5S/c1-7(21)23-4-9-11(24-8(2)22)12(26-3)15(25-9)20-6-19-10-13(16)17-5-18-14(10)20/h5-6,9,11-12,15H,4H2,1-3H3,(H2,16,17,18)/t9-,11+,12-,15-/m1/s1