2-[2-azanyl-6-(1-oxidanylpropan-2-ylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(1-oxidanylpropan-2-ylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-[(2-hydroxy-1-methyl-ethyl)amino]purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(1-hydroxypropan-2-ylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(1-hydroxypropan-2-ylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[(2-hydroxy-1-methyl-ethyl)amino]purin-9-yl]ethoxymethylphosphonic acid Formula: C11H19N6O5P MolecularWeight: 346.279521

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

InChI

InChI=1S/C11H19N6O5P/c1-7(4-18)14-9-8-10(16-11(12)15-9)17(5-13-8)2-3-22-6-23(19,20)21/h5,7,18H,2-4,6H2,1H3,(H2,19,20,21)(H3,12,14,15,16)