2-[[2,6-bis(azanyl)-1-(diethoxyphosphorylmethoxy)-6H-purin-9-yl]oxy]propan-1-ol

Systemtic Name: 2-[[2,6-bis(azanyl)-1-(diethoxyphosphorylmethoxy)-6H-purin-9-yl]oxy]propan-1-ol Openeye Name: 2-[[2,6-diamino-1-(diethoxyphosphorylmethoxy)-6H-purin-9-yl]oxy]propan-1-ol CAS Name: 2-[[2,6-diamino-1-(diethoxyphosphorylmethoxy)-6H-purin-9-yl]oxy]-1-propanol IUPAC Name: 2-[[2,6-diamino-1-(diethoxyphosphorylmethoxy)-6H-purin-9-yl]oxy]propan-1-ol Traditional Name: 2-[[2,6-diamino-1-(diethoxyphosphorylmethoxy)-6H-purin-9-yl]oxy]propan-1-ol Formula: C13H25N6O6P MolecularWeight: 392.347961

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CON1C(C2=C(N=C1N)N(C=N2)OC(C)CO)N)OCC

Isomeric SMILES

CCOP(=O)(CON1C(C2=C(N=C1N)N(C=N2)OC(C)CO)N)OCC

InChI

InChI=1S/C13H25N6O6P/c1-4-23-26(21,24-5-2)8-22-19-11(14)10-12(17-13(19)15)18(7-16-10)25-9(3)6-20/h7,9,11,20H,4-6,8,14H2,1-3H3,(H2,15,17)