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

Systemtic Name: 2-[6-(1-oxidanylpropan-2-ylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-[(2-hydroxy-1-methyl-ethyl)amino]purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(1-hydroxypropan-2-ylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(1-hydroxypropan-2-ylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-[(2-hydroxy-1-methyl-ethyl)amino]purin-9-yl]ethoxymethylphosphonic acid Formula: C11H18N5O5P MolecularWeight: 331.264881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N5O5P/c1-8(4-17)15-10-9-11(13-5-12-10)16(6-14-9)2-3-21-7-22(18,19)20/h5-6,8,17H,2-4,7H2,1H3,(H,12,13,15)(H2,18,19,20)