[3-[6-(2-hydroxyethyl)purin-9-yl]-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [3-[6-(2-hydroxyethyl)purin-9-yl]-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-3-[6-(2-hydroxyethyl)purin-9-yl]butoxy]methylphosphonic acid CAS Name: [4-hydroxy-3-[6-(2-hydroxyethyl)-9-purinyl]butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-3-[6-(2-hydroxyethyl)purin-9-yl]butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-3-[6-(2-hydroxyethyl)purin-9-yl]butoxy]methylphosphonic acid Formula: C12H19N4O6P MolecularWeight: 346.276221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N4O6P/c17-3-1-10-11-12(14-6-13-10)16(7-15-11)9(5-18)2-4-22-8-23(19,20)21/h6-7,9,17-18H,1-5,8H2,(H2,19,20,21)