2-[(2-azanyl-6-oxidanylidene-7H-purin-1-yl)oxy]ethylsulfanylmethylphosphonic acid

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-7H-purin-1-yl)oxy]ethylsulfanylmethylphosphonic acid Openeye Name: 2-[(2-amino-6-oxo-7H-purin-1-yl)oxy]ethylsulfanylmethylphosphonic acid CAS Name: [2-[(2-amino-6-oxo-7H-purin-1-yl)oxy]ethylthio]methylphosphonic acid IUPAC Name: 2-[(2-amino-6-oxo-7H-purin-1-yl)oxy]ethylsulfanylmethylphosphonic acid Traditional Name: [2-[(2-amino-6-keto-7H-purin-1-yl)oxy]ethylthio]methylphosphonic acid Formula: C8H12N5O5PS MolecularWeight: 321.250141

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N(C(=N2)N)OCCSCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(N1)C(=O)N(C(=N2)N)OCCSCP(=O)(O)O

InChI

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