2-azanyl-9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-[2-(diethoxyphosphorylmethylthio)ethoxy]-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-[2-(diethoxyphosphorylmethylthio)ethoxy]-7,8-dihydro-3H-purin-6-one Formula: C12H22N5O5PS MolecularWeight: 379.372341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSCCON1CNC2=C1NC(=NC2=O)N)OCC

Isomeric SMILES

CCOP(=O)(CSCCON1CNC2=C1NC(=NC2=O)N)OCC

InChI

InChI=1S/C12H22N5O5PS/c1-3-21-23(19,22-4-2)8-24-6-5-20-17-7-14-9-10(17)15-12(13)16-11(9)18/h14H,3-8H2,1-2H3,(H3,13,15,16,18)