S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(phenylcarbonylsulfanyl)ethoxy]phosphoryl]oxyethyl] benzenecarbothioate

Systemtic Name: S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(phenylcarbonylsulfanyl)ethoxy]phosphoryl]oxyethyl] benzenecarbothioate Openeye Name: S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-(2-benzoylsulfanylethoxy)phosphoryl]oxyethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-[2-(benzoylthio)ethoxy]phosphoryl]oxyethyl] ester IUPAC Name: S-[2-[2-(6-aminopurin-9-yl)ethoxymethyl-(2-benzoylsulfanylethoxy)phosphoryl]oxyethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[2-adenin-9-ylethoxymethyl-[2-(benzoylthio)ethoxy]phosphoryl]oxyethyl] ester Formula: C26H28N5O6PS2 MolecularWeight: 601.634181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCOP(=O)(COCCN2C=NC3=C2N=CN=C3N)OCCSC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCOP(=O)(COCCN2C=NC3=C2N=CN=C3N)OCCSC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N5O6PS2/c27-23-22-24(29-17-28-23)31(18-30-22)11-12-35-19-38(34,36-13-15-39-25(32)20-7-3-1-4-8-20)37-14-16-40-26(33)21-9-5-2-6-10-21/h1-10,17-18H,11-16,19H2,(H2,27,28,29)