2-(6-tert-butylpurin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(6-tert-butylpurin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(6-tert-butylpurin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(6-tert-butyl-9-purinyl)ethoxymethylphosphonic acid IUPAC Name: 2-(6-tert-butylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(6-tert-butylpurin-9-yl)ethoxymethylphosphonic acid Formula: C12H19N4O4P MolecularWeight: 314.277421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=NC=N1)N(C=N2)CCOCP(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=C2C(=NC=N1)N(C=N2)CCOCP(=O)(O)O

InChI

InChI=1S/C12H19N4O4P/c1-12(2,3)10-9-11(14-6-13-10)16(7-15-9)4-5-20-8-21(17,18)19/h6-7H,4-5,8H2,1-3H3,(H2,17,18,19)