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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSCCON1C=NC2=C1N=C(N=C2Cl)NC=O)OCC

Isomeric SMILES

CCOP(=O)(CSCCON1C=NC2=C1N=C(N=C2Cl)NC=O)OCC

InChI

InChI=1S/C13H19ClN5O5PS/c1-3-23-25(21,24-4-2)9-26-6-5-22-19-7-15-10-11(14)17-13(16-8-20)18-12(10)19/h7-8H,3-6,9H2,1-2H3,(H,16,17,18,20)