[2-[6-(2-hydroxyethyl)purin-7-yl]-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [2-[6-(2-hydroxyethyl)purin-7-yl]-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-2-[6-(2-hydroxyethyl)purin-7-yl]butoxy]methylphosphonic acid CAS Name: [4-hydroxy-2-[6-(2-hydroxyethyl)-7-purinyl]butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-2-[6-(2-hydroxyethyl)purin-7-yl]butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-2-[6-(2-hydroxyethyl)purin-7-yl]butoxy]methylphosphonic acid Formula: C12H19N4O6P MolecularWeight: 346.276221

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C2C(=N1)N=CN2C(CCO)COCP(=O)(O)O)CCO

Isomeric SMILES

C1=NC(=C2C(=N1)N=CN2C(CCO)COCP(=O)(O)O)CCO

InChI

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