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

Systemtic Name: 2-[[(2S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methylsulfanyl]ethyl ethanoate Openeye Name: 2-[[(2S,4R,5R)-4-acetoxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methylsulfanyl]ethyl acetate CAS Name: acetic acid 2-[[(2S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-oxolanyl]methylthio]ethyl ester IUPAC Name: 2-[[(2S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methylsulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[(2S,4R,5R)-4-acetoxy-5-adenin-9-yl-tetrahydrofuran-2-yl]methylthio]ethyl ester Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCC1CC(C(O1)N2C=NC3=C2N=CN=C3N)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O5S/c1-9(22)24-3-4-27-6-11-5-12(25-10(2)23)16(26-11)21-8-20-13-14(17)18-7-19-15(13)21/h7-8,11-12,16H,3-6H2,1-2H3,(H2,17,18,19)/t11-,12+,16+/m0/s1