2-[2-(2-azanyl-6-pyrrolidin-1-yl-purin-9-yl)ethoxy]ethylphosphonic acid

Systemtic Name: 2-[2-(2-azanyl-6-pyrrolidin-1-yl-purin-9-yl)ethoxy]ethylphosphonic acid Openeye Name: 2-[2-(2-amino-6-pyrrolidin-1-yl-purin-9-yl)ethoxy]ethylphosphonic acid CAS Name: 2-[2-[2-amino-6-(1-pyrrolidinyl)-9-purinyl]ethoxy]ethylphosphonic acid IUPAC Name: 2-[2-(2-amino-6-pyrrolidin-1-ylpurin-9-yl)ethoxy]ethylphosphonic acid Traditional Name: 2-[2-(2-amino-6-pyrrolidino-purin-9-yl)ethoxy]ethylphosphonic acid Formula: C13H21N6O4P MolecularWeight: 356.317401

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=CN3CCOCCP(=O)(O)O)N

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=CN3CCOCCP(=O)(O)O)N

InChI

InChI=1S/C13H21N6O4P/c14-13-16-11(18-3-1-2-4-18)10-12(17-13)19(9-15-10)5-6-23-7-8-24(20,21)22/h9H,1-8H2,(H2,14,16,17)(H2,20,21,22)