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

Systemtic Name: 2-(2-azanyl-6-piperidin-1-yl-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(1-piperidyl)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(1-piperidinyl)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-6-piperidin-1-ylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2-amino-6-piperidino-purin-9-yl)ethoxymethylphosphonic acid Formula: C13H21N6O4P MolecularWeight: 356.317401

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C13H21N6O4P/c14-13-16-11(18-4-2-1-3-5-18)10-12(17-13)19(8-15-10)6-7-23-9-24(20,21)22/h8H,1-7,9H2,(H2,14,16,17)(H2,20,21,22)