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3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propoxymethylphosphonic acid

3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propoxymethylphosphonic acid

Systemtic Name:3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propoxymethylphosphonic acid
Openeye Name:3-(2-amino-6-oxo-3H-purin-9-yl)propoxymethylphosphonic acid
CAS Name:3-(2-amino-6-oxo-3H-purin-9-yl)propoxymethylphosphonic acid
IUPAC Name:3-(2-amino-6-oxo-3H-purin-9-yl)propoxymethylphosphonic acid
Traditional Name:3-(2-amino-6-keto-3H-purin-9-yl)propoxymethylphosphonic acid
Formula: C9H14N5O5P
MolecularWeight: 303.211721
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCOCP(=O)(O)O)NC(=NC2=O)N


Isomeric SMILES

C1=NC2=C(N1CCCOCP(=O)(O)O)NC(=NC2=O)N


InChI

InChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-4-14(7)2-1-3-19-5-20(16,17)18/h4H,1-3,5H2,(H2,16,17,18)(H3,10,12,13,15)


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