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

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2-methylpropanoylsulfanyl)ethoxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2-methylpropanoylsulfanyl)ethoxy]phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-[(2-methyl-1-oxopropyl)thio]ethoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[2-(2-methylpropanoylsulfanyl)ethoxy]phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-[2-(isobutyrylthio)ethoxy]phosphinic acid Formula: C14H22N5O5PS MolecularWeight: 403.393741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N5O5PS/c1-10(2)14(20)26-6-5-24-25(21,22)9-23-4-3-19-8-18-11-12(15)16-7-17-13(11)19/h7-8,10H,3-6,9H2,1-2H3,(H,21,22)(H2,15,16,17)