2-[(2S)-3-acetyloxy-2-[(1R)-2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]propyl]sulfanylethyl ethanoate

Systemtic Name: 2-[(2S)-3-acetyloxy-2-[(1R)-2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]propyl]sulfanylethyl ethanoate Openeye Name: 2-[(2S)-3-acetoxy-2-[(1R)-2-acetoxy-1-(6-aminopurin-9-yl)ethoxy]propyl]sulfanylethyl acetate CAS Name: acetic acid 2-[[(2S)-3-acetyloxy-2-[(1R)-2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]propyl]thio]ethyl ester IUPAC Name: 2-[(2S)-3-acetyloxy-2-[(1R)-2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]propyl]sulfanylethyl acetate Traditional Name: acetic acid 2-[[(2S)-3-acetoxy-2-[(1R)-2-acetoxy-1-adenin-9-yl-ethoxy]propyl]thio]ethyl ester Formula: C18H25N5O7S MolecularWeight: 455.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSCC(COC(=O)C)OC(COC(=O)C)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

CC(=O)OCCSC[C@H](COC(=O)C)O[C@H](COC(=O)C)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C18H25N5O7S/c1-11(24)27-4-5-31-8-14(6-28-12(2)25)30-15(7-29-13(3)26)23-10-22-16-17(19)20-9-21-18(16)23/h9-10,14-15H,4-8H2,1-3H3,(H2,19,20,21)/t14-,15+/m0/s1