2-(6-aminopurin-9-yl)ethoxymethyl-(2-ethanoylsulfanylethoxy)phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2-ethanoylsulfanylethoxy)phosphinic acid Openeye Name: 2-acetylsulfanylethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid CAS Name: 2-(acetylthio)ethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid IUPAC Name: 2-acetylsulfanylethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid Traditional Name: 2-(acetylthio)ethoxy-(2-adenin-9-ylethoxymethyl)phosphinic acid Formula: C12H18N5O5PS MolecularWeight: 375.340581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N5O5PS/c1-9(18)24-5-4-22-23(19,20)8-21-3-2-17-7-16-10-11(13)14-6-15-12(10)17/h6-7H,2-5,8H2,1H3,(H,19,20)(H2,13,14,15)