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2-[6-(3-oxidanylpropylamino)purin-9-yl]ethoxymethylphosphonic acid

2-[6-(3-oxidanylpropylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name:2-[6-(3-oxidanylpropylamino)purin-9-yl]ethoxymethylphosphonic acid
Openeye Name:2-[6-(3-hydroxypropylamino)purin-9-yl]ethoxymethylphosphonic acid
CAS Name:2-[6-(3-hydroxypropylamino)-9-purinyl]ethoxymethylphosphonic acid
IUPAC Name:2-[6-(3-hydroxypropylamino)purin-9-yl]ethoxymethylphosphonic acid
Traditional Name:2-[6-(3-hydroxypropylamino)purin-9-yl]ethoxymethylphosphonic acid
Formula: C11H18N5O5P
MolecularWeight: 331.264881
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NCCCO)N=CN2CCOCP(=O)(O)O


Isomeric SMILES

C1=NC2=C(C(=N1)NCCCO)N=CN2CCOCP(=O)(O)O


InChI

InChI=1S/C11H18N5O5P/c17-4-1-2-12-10-9-11(14-6-13-10)16(7-15-9)3-5-21-8-22(18,19)20/h6-7,17H,1-5,8H2,(H,12,13,14)(H2,18,19,20)


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