2-(6-pyrrolidin-1-ylpurin-7-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(6-pyrrolidin-1-ylpurin-7-yl)ethoxymethylphosphonic acid Openeye Name: 2-(6-pyrrolidin-1-ylpurin-7-yl)ethoxymethylphosphonic acid CAS Name: 2-[6-(1-pyrrolidinyl)-7-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-(6-pyrrolidin-1-ylpurin-7-yl)ethoxymethylphosphonic acid Traditional Name: 2-(6-pyrrolidinopurin-7-yl)ethoxymethylphosphonic acid Formula: C12H18N5O4P MolecularWeight: 327.276181

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC3=C2N(C=N3)CCOCP(=O)(O)O

Isomeric SMILES

C1CCN(C1)C2=NC=NC3=C2N(C=N3)CCOCP(=O)(O)O

InChI

InChI=1S/C12H18N5O4P/c18-22(19,20)9-21-6-5-17-8-15-11-10(17)12(14-7-13-11)16-3-1-2-4-16/h7-8H,1-6,9H2,(H2,18,19,20)