2-azanyl-1-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7H-purin-6-one

Systemtic Name: 2-azanyl-1-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7H-purin-6-one Openeye Name: 2-amino-1-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7H-purin-6-one CAS Name: 2-amino-1-[2-(diethoxyphosphorylmethylthio)ethoxy]-7H-purin-6-one IUPAC Name: 2-amino-1-[2-(diethoxyphosphorylmethylsulfanyl)ethoxy]-7H-purin-6-one Traditional Name: 2-amino-1-[2-(diethoxyphosphorylmethylthio)ethoxy]-7H-purin-6-one Formula: C12H20N5O5PS MolecularWeight: 377.356461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSCCON1C(=O)C2=C(N=CN2)N=C1N)OCC

Isomeric SMILES

CCOP(=O)(CSCCON1C(=O)C2=C(N=CN2)N=C1N)OCC

InChI

InChI=1S/C12H20N5O5PS/c1-3-21-23(19,22-4-2)8-24-6-5-20-17-11(18)9-10(15-7-14-9)16-12(17)13/h7H,3-6,8H2,1-2H3,(H2,13,16)(H,14,15)