N-[6-chloranyl-9-[1-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-2-yl]methanamide

Systemtic Name: N-[6-chloranyl-9-[1-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-2-yl]methanamide Openeye Name: N-[6-chloro-9-[1-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-2-yl]formamide CAS Name: N-[6-chloro-9-[1-(diethoxyphosphorylmethylthio)ethoxy]-2-purinyl]formamide IUPAC Name: N-[6-chloro-9-[1-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-2-yl]formamide Traditional Name: N-[6-chloro-9-[1-(diethoxyphosphorylmethylthio)ethoxy]purin-2-yl]formamide Formula: C13H19ClN5O5PS MolecularWeight: 423.812221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSC(C)ON1C=NC2=C1N=C(N=C2Cl)NC=O)OCC

Isomeric SMILES

CCOP(=O)(CSC(C)ON1C=NC2=C1N=C(N=C2Cl)NC=O)OCC

InChI

InChI=1S/C13H19ClN5O5PS/c1-4-22-25(21,23-5-2)8-26-9(3)24-19-6-15-10-11(14)17-13(16-7-20)18-12(10)19/h6-7,9H,4-5,8H2,1-3H3,(H,16,17,18,20)