2-azanyl-9-[1-(diethoxyphosphorylmethoxy)-3-oxidanyl-propan-2-yl]oxy-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[1-(diethoxyphosphorylmethoxy)-3-oxidanyl-propan-2-yl]oxy-3H-purin-6-one Openeye Name: 2-amino-9-[1-(diethoxyphosphorylmethoxymethyl)-2-hydroxy-ethoxy]-3H-purin-6-one CAS Name: 2-amino-9-[1-(diethoxyphosphorylmethoxy)-3-hydroxypropan-2-yl]oxy-3H-purin-6-one IUPAC Name: 2-amino-9-[1-(diethoxyphosphorylmethoxy)-3-hydroxypropan-2-yl]oxy-3H-purin-6-one Traditional Name: 2-amino-9-[1-(diethoxyphosphorylmethoxymethyl)-2-hydroxy-ethoxy]-3H-purin-6-one Formula: C13H22N5O7P MolecularWeight: 391.316841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COCC(CO)ON1C=NC2=C1NC(=NC2=O)N)OCC

Isomeric SMILES

CCOP(=O)(COCC(CO)ON1C=NC2=C1NC(=NC2=O)N)OCC

InChI

InChI=1S/C13H22N5O7P/c1-3-23-26(21,24-4-2)8-22-6-9(5-19)25-18-7-15-10-11(18)16-13(14)17-12(10)20/h7,9,19H,3-6,8H2,1-2H3,(H3,14,16,17,20)