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

Systemtic Name: 2-azanyl-9-[2-(diethoxyphosphorylmethylsulfanyl)-3-oxidanyl-propoxy]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-[2-(diethoxyphosphorylmethylsulfanyl)-3-hydroxy-propoxy]-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-[2-(diethoxyphosphorylmethylthio)-3-hydroxypropoxy]-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-[2-(diethoxyphosphorylmethylsulfanyl)-3-hydroxypropoxy]-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-[2-(diethoxyphosphorylmethylthio)-3-hydroxy-propoxy]-7,8-dihydro-3H-purin-6-one Formula: C13H24N5O6PS MolecularWeight: 409.398321

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSC(CO)CON1CNC2=C1NC(=NC2=O)N)OCC

Isomeric SMILES

CCOP(=O)(CSC(CO)CON1CNC2=C1NC(=NC2=O)N)OCC

InChI

InChI=1S/C13H24N5O6PS/c1-3-23-25(21,24-4-2)8-26-9(5-19)6-22-18-7-15-10-11(18)16-13(14)17-12(10)20/h9,15,19H,3-8H2,1-2H3,(H3,14,16,17,20)