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

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-[2-(pivaloylthio)ethoxy]phosphinic acid Formula: C15H24N5O5PS MolecularWeight: 417.420321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SCCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CC(C)(C)C(=O)SCCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C15H24N5O5PS/c1-15(2,3)14(21)27-7-6-25-26(22,23)10-24-5-4-20-9-19-11-12(16)17-8-18-13(11)20/h8-9H,4-7,10H2,1-3H3,(H,22,23)(H2,16,17,18)