2-[1-(6-aminopurin-9-yl)-2-diethoxyphosphoryl-ethyl]sulfanylethanol

Systemtic Name: 2-[1-(6-aminopurin-9-yl)-2-diethoxyphosphoryl-ethyl]sulfanylethanol Openeye Name: 2-[1-(6-aminopurin-9-yl)-2-diethoxyphosphoryl-ethyl]sulfanylethanol CAS Name: 2-[[1-(6-aminopurin-9-yl)-2-diethoxyphosphorylethyl]thio]ethanol IUPAC Name: 2-[1-(6-aminopurin-9-yl)-2-diethoxyphosphorylethyl]sulfanylethanol Traditional Name: 2-[(1-adenin-9-yl-2-diethoxyphosphoryl-ethyl)thio]ethanol Formula: C13H22N5O4PS MolecularWeight: 375.383641

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(N1C=NC2=C1N=CN=C2N)SCCO)OCC

Isomeric SMILES

CCOP(=O)(CC(N1C=NC2=C1N=CN=C2N)SCCO)OCC

InChI

InChI=1S/C13H22N5O4PS/c1-3-21-23(20,22-4-2)7-10(24-6-5-19)18-9-17-11-12(14)15-8-16-13(11)18/h8-10,19H,3-7H2,1-2H3,(H2,14,15,16)