9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-6-amine

Systemtic Name: 9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-6-amine Openeye Name: 9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-6-amine CAS Name: 9-[2-(diethoxyphosphorylmethylthio)ethoxy]-6-purinamine IUPAC Name: 9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]purin-6-amine Traditional Name: [9-[2-(diethoxyphosphorylmethylthio)ethoxy]purin-6-yl]amine Formula: C12H20N5O4PS MolecularWeight: 361.357061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSCCON1C=NC2=C1N=CN=C2N)OCC

Isomeric SMILES

CCOP(=O)(CSCCON1C=NC2=C1N=CN=C2N)OCC

InChI

InChI=1S/C12H20N5O4PS/c1-3-20-22(18,21-4-2)9-23-6-5-19-17-8-16-10-11(13)14-7-15-12(10)17/h7-8H,3-6,9H2,1-2H3,(H2,13,14,15)