1-(6-azanyl-3-oxidanyl-purin-2-yl)oxypropan-2-ylsulfanylmethylphosphonic acid

Systemtic Name: 1-(6-azanyl-3-oxidanyl-purin-2-yl)oxypropan-2-ylsulfanylmethylphosphonic acid Openeye Name: [2-(6-amino-3-hydroxy-purin-2-yl)oxy-1-methyl-ethyl]sulfanylmethylphosphonic acid CAS Name: [1-[(6-amino-3-hydroxy-2-purinyl)oxy]propan-2-ylthio]methylphosphonic acid IUPAC Name: 1-(6-amino-3-hydroxypurin-2-yl)oxypropan-2-ylsulfanylmethylphosphonic acid Traditional Name: [[2-(6-amino-3-hydroxy-purin-2-yl)oxy-1-methyl-ethyl]thio]methylphosphonic acid Formula: C9H14N5O5PS MolecularWeight: 335.276721

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=NC(=C2C(=NC=N2)N1O)N)SCP(=O)(O)O

Isomeric SMILES

CC(COC1=NC(=C2C(=NC=N2)N1O)N)SCP(=O)(O)O

InChI

InChI=1S/C9H14N5O5PS/c1-5(21-4-20(16,17)18)2-19-9-13-7(10)6-8(14(9)15)12-3-11-6/h3,5,15H,2,4,10H2,1H3,(H2,16,17,18)