3-[[2-azanyl-6-(diethylamino)purin-9-yl]methoxy]propane-1,2-diol

Systemtic Name: 3-[[2-azanyl-6-(diethylamino)purin-9-yl]methoxy]propane-1,2-diol Openeye Name: 3-[[2-amino-6-(diethylamino)purin-9-yl]methoxy]propane-1,2-diol CAS Name: 3-[[2-amino-6-(diethylamino)-9-purinyl]methoxy]propane-1,2-diol IUPAC Name: 3-[[2-amino-6-(diethylamino)purin-9-yl]methoxy]propane-1,2-diol Traditional Name: 3-[[2-amino-6-(diethylamino)purin-9-yl]methoxy]propane-1,2-diol Formula: C13H22N6O3 MolecularWeight: 310.35218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC2=C1N=CN2COCC(CO)O)N

Isomeric SMILES

CCN(CC)C1=NC(=NC2=C1N=CN2COCC(CO)O)N

InChI

InChI=1S/C13H22N6O3/c1-3-18(4-2)11-10-12(17-13(14)16-11)19(7-15-10)8-22-6-9(21)5-20/h7,9,20-21H,3-6,8H2,1-2H3,(H2,14,16,17)