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

Systemtic Name: 2-(6-aminopurin-9-yl)ethylsulfanylmethylphosphonic acid Openeye Name: 2-(6-aminopurin-9-yl)ethylsulfanylmethylphosphonic acid CAS Name: [2-(6-aminopurin-9-yl)ethylthio]methylphosphonic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethylsulfanylmethylphosphonic acid Traditional Name: (2-adenin-9-ylethylthio)methylphosphonic acid Formula: C8H12N5O3PS MolecularWeight: 289.251341

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCSCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCSCP(=O)(O)O

InChI

InChI=1S/C8H12N5O3PS/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-18-5-17(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)