[1-(6-azanylpurin-3-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-(6-azanylpurin-3-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(6-aminopurin-3-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [1-(6-amino-3-purinyl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(6-aminopurin-3-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[(6-aminopurin-3-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C9H14N5O5P MolecularWeight: 303.211721

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N=CN(C2=N1)CC(CO)OCP(=O)(O)O)N

Isomeric SMILES

C1=NC2=C(N=CN(C2=N1)CC(CO)OCP(=O)(O)O)N

InChI

InChI=1S/C9H14N5O5P/c10-8-7-9(12-3-11-7)14(4-13-8)1-6(2-15)19-5-20(16,17)18/h3-4,6,15H,1-2,5,10H2,(H2,16,17,18)