S-[2-[2-ethanoylsulfanylethoxy-[[(2S,5R)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] ethanethioate

Systemtic Name: S-[2-[2-ethanoylsulfanylethoxy-[[(2S,5R)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] ethanethioate Openeye Name: S-[2-[2-acetylsulfanylethoxy-[[(2S,5R)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxyethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(acetylthio)ethoxy-[[(2S,5R)-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methoxy]phosphoryl]oxyethyl] ester IUPAC Name: S-[2-[2-acetylsulfanylethoxy-[[(2S,5R)-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-(acetylthio)ethoxy-[[(2S,5R)-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxyethyl] ester Formula: C18H25N4O8PS2 MolecularWeight: 520.516861

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOP(=O)(OCCSC(=O)C)OCC1CCC(O1)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CC(=O)SCCOP(=O)(OCCSC(=O)C)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C18H25N4O8PS2/c1-12(23)32-7-5-27-31(26,28-6-8-33-13(2)24)29-9-14-3-4-15(30-14)22-11-21-16-17(22)19-10-20-18(16)25/h10-11,14-15H,3-9H2,1-2H3,(H,19,20,25)/t14-,15+/m0/s1