2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxy]ethylsulfanylmethylphosphonic acid

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxy]ethylsulfanylmethylphosphonic acid Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)oxy]ethylsulfanylmethylphosphonic acid CAS Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)oxy]ethylthio]methylphosphonic acid IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)oxy]ethylsulfanylmethylphosphonic acid Traditional Name: [2-[(2-amino-6-keto-3H-purin-9-yl)oxy]ethylthio]methylphosphonic acid Formula: C8H12N5O5PS MolecularWeight: 321.250141

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1OCCSCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1OCCSCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C8H12N5O5PS/c9-8-11-6-5(7(14)12-8)10-3-13(6)18-1-2-20-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)