2-(6-aminopurin-9-yl)oxyethylsulfanylmethylphosphonic acid

Systemtic Name: 2-(6-aminopurin-9-yl)oxyethylsulfanylmethylphosphonic acid Openeye Name: 2-(6-aminopurin-9-yl)oxyethylsulfanylmethylphosphonic acid CAS Name: [2-(6-aminopurin-9-yl)oxyethylthio]methylphosphonic acid IUPAC Name: 2-(6-aminopurin-9-yl)oxyethylsulfanylmethylphosphonic acid Traditional Name: (2-adenin-9-yloxyethylthio)methylphosphonic acid Formula: C8H12N5O4PS MolecularWeight: 305.250741

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2OCCSCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2OCCSCP(=O)(O)O

InChI

InChI=1S/C8H12N5O4PS/c9-7-6-8(11-3-10-7)13(4-12-6)17-1-2-19-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)