2-(6-aminopurin-9-yl)ethoxymethyl-[2-(phenylcarbonylsulfanyl)ethoxy]phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(phenylcarbonylsulfanyl)ethoxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2-benzoylsulfanylethoxy)phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(benzoylthio)ethoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2-benzoylsulfanylethoxy)phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-[2-(benzoylthio)ethoxy]phosphinic acid Formula: C17H20N5O5PS MolecularWeight: 437.409961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N5O5PS/c18-15-14-16(20-10-19-15)22(11-21-14)6-7-26-12-28(24,25)27-8-9-29-17(23)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,24,25)(H2,18,19,20)