1-[(2-azanyl-3-oxidanyl-6-oxidanylidene-1,2-dihydropurin-9-yl)oxy]propan-2-ylsulfanylmethylphosphonic acid

Systemtic Name: 1-[(2-azanyl-3-oxidanyl-6-oxidanylidene-1,2-dihydropurin-9-yl)oxy]propan-2-ylsulfanylmethylphosphonic acid Openeye Name: [2-[(2-amino-3-hydroxy-6-oxo-1,2-dihydropurin-9-yl)oxy]-1-methyl-ethyl]sulfanylmethylphosphonic acid CAS Name: [1-[(2-amino-3-hydroxy-6-oxo-1,2-dihydropurin-9-yl)oxy]propan-2-ylthio]methylphosphonic acid IUPAC Name: 1-[(2-amino-3-hydroxy-6-oxo-1,2-dihydropurin-9-yl)oxy]propan-2-ylsulfanylmethylphosphonic acid Traditional Name: [[2-[(2-amino-3-hydroxy-6-keto-1,2-dihydropurin-9-yl)oxy]-1-methyl-ethyl]thio]methylphosphonic acid Formula: C9H16N5O6PS MolecularWeight: 353.292001

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Descriptors Computed from Structure

Canonical SMILES:

CC(CON1C=NC2=C1N(C(NC2=O)N)O)SCP(=O)(O)O

Isomeric SMILES

CC(CON1C=NC2=C1N(C(NC2=O)N)O)SCP(=O)(O)O

InChI

InChI=1S/C9H16N5O6PS/c1-5(22-4-21(17,18)19)2-20-13-3-11-6-7(15)12-9(10)14(16)8(6)13/h3,5,9,16H,2,4,10H2,1H3,(H,12,15)(H2,17,18,19)