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2-(6-sulfanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid

2-(6-sulfanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name:2-(6-sulfanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid
Openeye Name:2-(6-thioxo-3H-purin-9-yl)ethoxymethylphosphonic acid
CAS Name:2-(6-sulfanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid
IUPAC Name:2-(6-sulfanylidene-3H-purin-9-yl)ethoxymethylphosphonic acid
Traditional Name:2-(6-thioxo-3H-purin-9-yl)ethoxymethylphosphonic acid
Formula: C8H11N4O4PS
MolecularWeight: 290.236101
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)CCOCP(=O)(O)O


Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)CCOCP(=O)(O)O


InChI

InChI=1S/C8H11N4O4PS/c13-17(14,15)5-16-2-1-12-4-11-6-7(12)9-3-10-8(6)18/h3-4H,1-2,5H2,(H,9,10,18)(H2,13,14,15)


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