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

Systemtic Name: 2-[[(2S,3S,5R)-3-acetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methylsulfanyl]ethyl ethanoate Openeye Name: 2-[[(2S,3S,5R)-3-acetoxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methylsulfanyl]ethyl acetate CAS Name: acetic acid 2-[[(2S,3S,5R)-3-acetyloxy-5-(6-aminopurin-9-yl)-2-oxolanyl]methylthio]ethyl ester IUPAC Name: 2-[[(2S,3S,5R)-3-acetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methylsulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[(2S,3S,5R)-3-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)OCCSCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OC(=O)C

Isomeric SMILES

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

InChI

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