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2-(6-azanyl-2-oxidanylidene-7H-purin-3-yl)ethoxymethylphosphonic acid

2-(6-azanyl-2-oxidanylidene-7H-purin-3-yl)ethoxymethylphosphonic acid

Systemtic Name:2-(6-azanyl-2-oxidanylidene-7H-purin-3-yl)ethoxymethylphosphonic acid
Openeye Name:2-(6-amino-2-oxo-7H-purin-3-yl)ethoxymethylphosphonic acid
CAS Name:2-(6-amino-2-oxo-7H-purin-3-yl)ethoxymethylphosphonic acid
IUPAC Name:2-(6-amino-2-oxo-7H-purin-3-yl)ethoxymethylphosphonic acid
Traditional Name:2-(6-amino-2-keto-7H-purin-3-yl)ethoxymethylphosphonic acid
Formula: C8H12N5O5P
MolecularWeight: 289.185141
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC(=O)N2CCOCP(=O)(O)O)N


Isomeric SMILES

C1=NC2=C(N1)C(=NC(=O)N2CCOCP(=O)(O)O)N


InChI

InChI=1S/C8H12N5O5P/c9-6-5-7(11-3-10-5)13(8(14)12-6)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H,10,11)(H2,9,12,14)(H2,15,16,17)


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