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

Systemtic Name: [2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]-3-ethylsulfanyl-propyl] ethanoate Openeye Name: [2-[2-acetoxy-1-(6-aminopurin-9-yl)ethoxy]-3-ethylsulfanyl-propyl] acetate CAS Name: acetic acid [2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]-3-(ethylthio)propyl] ester IUPAC Name: [2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]-3-ethylsulfanylpropyl] acetate Traditional Name: acetic acid [2-(2-acetoxy-1-adenin-9-yl-ethoxy)-3-(ethylthio)propyl] ester Formula: C16H23N5O5S MolecularWeight: 397.44932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O5S/c1-4-27-7-12(5-24-10(2)22)26-13(6-25-11(3)23)21-9-20-14-15(17)18-8-19-16(14)21/h8-9,12-13H,4-7H2,1-3H3,(H2,17,18,19)