2-(2-azanyl-6-pyrrolidin-1-yl-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(2-azanyl-6-pyrrolidin-1-yl-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-6-pyrrolidin-1-yl-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(1-pyrrolidinyl)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2-amino-6-pyrrolidino-purin-9-yl)ethoxymethylphosphonic acid Formula: C12H19N6O4P MolecularWeight: 342.290821

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C12H19N6O4P/c13-12-15-10(17-3-1-2-4-17)9-11(16-12)18(7-14-9)5-6-22-8-23(19,20)21/h7H,1-6,8H2,(H2,13,15,16)(H2,19,20,21)