2-(6-propan-2-ylpurin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(6-propan-2-ylpurin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(6-isopropylpurin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(6-propan-2-yl-9-purinyl)ethoxymethylphosphonic acid IUPAC Name: 2-(6-propan-2-ylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(6-isopropylpurin-9-yl)ethoxymethylphosphonic acid Formula: C11H17N4O4P MolecularWeight: 300.250841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N4O4P/c1-8(2)9-10-11(13-5-12-9)15(6-14-10)3-4-19-7-20(16,17)18/h5-6,8H,3-4,7H2,1-2H3,(H2,16,17,18)