2-[6-(2,2-dimethylpropyl)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-(2,2-dimethylpropyl)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(2,2-dimethylpropyl)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(2,2-dimethylpropyl)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(2,2-dimethylpropyl)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-(6-neopentylpurin-9-yl)ethoxymethylphosphonic acid Formula: C13H21N4O4P MolecularWeight: 328.304001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C2C(=NC=N1)N(C=N2)CCOCP(=O)(O)O

Isomeric SMILES

CC(C)(C)CC1=C2C(=NC=N1)N(C=N2)CCOCP(=O)(O)O

InChI

InChI=1S/C13H21N4O4P/c1-13(2,3)6-10-11-12(15-7-14-10)17(8-16-11)4-5-21-9-22(18,19)20/h7-8H,4-6,9H2,1-3H3,(H2,18,19,20)