[1-(6-aminopurin-9-yl)oxy-3-oxidanyl-propan-2-yl]sulfanylmethylphosphonic acid

Systemtic Name: [1-(6-aminopurin-9-yl)oxy-3-oxidanyl-propan-2-yl]sulfanylmethylphosphonic acid Openeye Name: [1-[(6-aminopurin-9-yl)oxymethyl]-2-hydroxy-ethyl]sulfanylmethylphosphonic acid CAS Name: [[1-(6-aminopurin-9-yl)oxy-3-hydroxypropan-2-yl]thio]methylphosphonic acid IUPAC Name: [1-(6-aminopurin-9-yl)oxy-3-hydroxypropan-2-yl]sulfanylmethylphosphonic acid Traditional Name: [[1-(adenin-9-yloxymethyl)-2-hydroxy-ethyl]thio]methylphosphonic acid Formula: C9H14N5O5PS MolecularWeight: 335.276721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2OCC(CO)SCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2OCC(CO)SCP(=O)(O)O

InChI

InChI=1S/C9H14N5O5PS/c10-8-7-9(12-3-11-8)14(4-13-7)19-2-6(1-15)21-5-20(16,17)18/h3-4,6,15H,1-2,5H2,(H2,10,11,12)(H2,16,17,18)